(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

C118H122N24O8S — CID 158743690

IUPAC(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESC#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.C#Cc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)n2)c1.C#Cc1cccc(-c2ccnc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CC#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.CC#Cc1cccc(-c2coc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CCCc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3N3CCOCC3)c2)c1
InChIInChI=1S/C22H29N5O2S.C20H20N4O.3C19H18N4O.C19H19N3O2/c1-4-5-15-10-16(13-24-12-15)17-11-18(30-14-17)22(2)19(27-6-8-29-9-7-27)20(28)26(3)21(23)25-22;1-4-6-14-7-5-8-15(11-14)17-12-16(9-10-22-17)20(2)13-18(25)24(3)19(21)23-20;1-4-13-7-5-8-14(11-13)15-9-6-10-16(21-15)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)16-11-15(8-9-21-16)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)15-8-9-21-16(11-15)19(2)12-17(24)23(3)18(20)22-19;1-4-6-13-7-5-8-14(9-13)15-10-16(24-12-15)19(2)11-17(23)22(3)18(20)21-19/h10-14,19H,4-9H2,1-3H3,(H2,23,25);5,7-12H,13H2,1-3H3,(H2,21,23);3*1,5-11H,12H2,2-3H3,(H2,20,22);5,7-10,12H,11H2,1-3H3,(H2,20,21)/t19?,22-;20-;4*19-/m100000/s1
InChIKeyIMPSLZVORYYCFI-UJKNNHFBSA-N
MW2036.50 g/mol
LogP14.05
Rot. Bonds15

About (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 158743690) has the molecular formula C118H122N24O8S and a molecular weight of 2036.50 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID158743690
Molecular FormulaC118H122N24O8S
Molecular Weight2036.50 g/mol
Exact Mass2034.96
IUPAC Name(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESC#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.C#Cc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)n2)c1.C#Cc1cccc(-c2ccnc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CC#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.CC#Cc1cccc(-c2coc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CCCc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3N3CCOCC3)c2)c1
InChIInChI=1S/C22H29N5O2S.C20H20N4O.3C19H18N4O.C19H19N3O2/c1-4-5-15-10-16(13-24-12-15)17-11-18(30-14-17)22(2)19(27-6-8-29-9-7-27)20(28)26(3)21(23)25-22;1-4-6-14-7-5-8-15(11-14)17-12-16(9-10-22-17)20(2)13-18(25)24(3)19(21)23-20;1-4-13-7-5-8-14(11-13)15-9-6-10-16(21-15)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)16-11-15(8-9-21-16)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)15-8-9-21-16(11-15)19(2)12-17(24)23(3)18(20)22-19;1-4-6-13-7-5-8-14(9-13)15-10-16(24-12-15)19(2)11-17(23)22(3)18(20)21-19/h10-14,19H,4-9H2,1-3H3,(H2,23,25);5,7-12H,13H2,1-3H3,(H2,21,23);3*1,5-11H,12H2,2-3H3,(H2,20,22);5,7-10,12H,11H2,1-3H3,(H2,20,21)/t19?,22-;20-;4*19-/m100000/s1
InChIKeyIMPSLZVORYYCFI-UJKNNHFBSA-N
XLogP14.05
TPSA442.20 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.50
LogP ≤ 514.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 158743690) is (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is C#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.C#Cc1cccc(-c2cccc([C@]3(C)CC(=O)N(C)C(N)=N3)n2)c1.C#Cc1cccc(-c2ccnc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CC#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(N)=N3)ccn2)c1.CC#Cc1cccc(-c2coc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CCCc1cncc(-c2csc([C@@]3(C)N=C(N)N(C)C(=O)C3N3CCOCC3)c2)c1.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is IMPSLZVORYYCFI-UJKNNHFBSA-N. The full InChI is InChI=1S/C22H29N5O2S.C20H20N4O.3C19H18N4O.C19H19N3O2/c1-4-5-15-10-16(13-24-12-15)17-11-18(30-14-17)22(2)19(27-6-8-29-9-7-27)20(28)26(3)21(23)25-22;1-4-6-14-7-5-8-15(11-14)17-12-16(9-10-22-17)20(2)13-18(25)24(3)19(21)23-20;1-4-13-7-5-8-14(11-13)15-9-6-10-16(21-15)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)16-11-15(8-9-21-16)19(2)12-17(24)23(3)18(20)22-19;1-4-13-6-5-7-14(10-13)15-8-9-21-16(11-15)19(2)12-17(24)23(3)18(20)22-19;1-4-6-13-7-5-8-14(9-13)15-10-16(24-12-15)19(2)11-17(23)22(3)18(20)21-19/h10-14,19H,4-9H2,1-3H3,(H2,23,25);5,7-12H,13H2,1-3H3,(H2,21,23);3*1,5-11H,12H2,2-3H3,(H2,20,22);5,7-10,12H,11H2,1-3H3,(H2,20,21)/t19?,22-;20-;4*19-/m100000/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2036.50 g/mol, XLogP of 14.05, 15 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-5-morpholin-4-yl-6-[4-(5-propyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[4-(3-prop-1-ynylphenyl)furan-2-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[2-(3-prop-1-ynylphenyl)-4-pyridinyl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[2-(3-ethynylphenyl)-4-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[4-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-ethynylphenyl)-2-pyridinyl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 158743690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).