(6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one

C112H114N26O6S5 — CID 160948334

About (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one

(6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one (PubChem CID 160948334) has the molecular formula C112H114N26O6S5 and a molecular weight of 2080.65 g/mol. Its IUPAC name is (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one.

Molecular Properties

• Compound Name: (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
• PubChem CID: 160948334
• Molecular Formula: C112H114N26O6S5
• Molecular Weight: 2080.65 g/mol
• Exact Mass: 2078.80
• IUPAC Name: (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one
• SMILES: C#Cc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CC#Cc1cc(C#N)cc(-c2csc([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)nn2C)c1.CC#Cc1cccc(-c2ncc([C@@]3(C)N=C(N)N(C)C(=O)C3C)s2)c1.CC#Cc1cccc(-c2ncc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3C)s2)c1.CC#Cc1cncc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2N)c1
• InChI: InChI=1S/C20H18N4OS.C19H21N5O.2C19H20N4OS.C18H19N5OS.C17H16N4OS/c1-4-5-13-6-14(11-21)8-15(7-13)16-9-17(26-12-16)20(2)10-18(25)24(3)19(22)23-20;1-5-7-13-8-6-9-14(10-13)15-11-16(22-24(15)4)19(2)12-17(25)23(3)18(20)21-19;2*1-5-7-13-8-6-9-14(10-13)16-21-11-15(25-16)19(3)12(2)17(24)23(4)18(20)22-19;1-4-5-11-6-12(10-21-9-11)16-13(19)7-14(25-16)18(2)8-15(24)23(3)17(20)22-18;1-4-11-5-12(9-19-8-11)13-6-14(23-10-13)17(2)7-15(22)21(3)16(18)20-17/h6-9,12H,10H2,1-3H3,(H2,22,23);6,8-11H,12H2,1-4H3,(H2,20,21);2*6,8-12H,1-4H3,(H2,20,22);6-7,9-10H,8,19H2,1-3H3,(H2,20,22);1,5-6,8-10H,7H2,2-3H3,(H2,18,20)/t20-;19-;12?,19-;12-,19-;18-;17-/m000000/s1
• InChIKey: SVKLPHFLRABGRD-SKNNXERASA-N
• XLogP: 14.88
• TPSA: 471.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.65
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?

The IUPAC name of (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one (CID 160948334) is (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one.

What is the SMILES notation for (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?

The canonical SMILES for (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one is C#Cc1cncc(-c2csc([C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1.CC#Cc1cc(C#N)cc(-c2csc([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)nn2C)c1.CC#Cc1cccc(-c2ncc([C@@]3(C)N=C(N)N(C)C(=O)C3C)s2)c1.CC#Cc1cccc(-c2ncc([C@@]3(C)N=C(N)N(C)C(=O)[C@@H]3C)s2)c1.CC#Cc1cncc(-c2sc([C@]3(C)CC(=O)N(C)C(N)=N3)cc2N)c1.

What is the InChIKey of (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?

The InChIKey is SVKLPHFLRABGRD-SKNNXERASA-N. The full InChI is InChI=1S/C20H18N4OS.C19H21N5O.2C19H20N4OS.C18H19N5OS.C17H16N4OS/c1-4-5-13-6-14(11-21)8-15(7-13)16-9-17(26-12-16)20(2)10-18(25)24(3)19(22)23-20;1-5-7-13-8-6-9-14(10-13)15-11-16(22-24(15)4)19(2)12-17(25)23(3)18(20)21-19;2*1-5-7-13-8-6-9-14(10-13)16-21-11-15(25-16)19(3)12(2)17(24)23(4)18(20)22-19;1-4-5-11-6-12(10-21-9-11)16-13(19)7-14(25-16)18(2)8-15(24)23(3)17(20)22-18;1-4-11-5-12(9-19-8-11)13-6-14(23-10-13)17(2)7-15(22)21(3)16(18)20-17/h6-9,12H,10H2,1-3H3,(H2,22,23);6,8-11H,12H2,1-4H3,(H2,20,21);2*6,8-12H,1-4H3,(H2,20,22);6-7,9-10H,8,19H2,1-3H3,(H2,20,22);1,5-6,8-10H,7H2,2-3H3,(H2,18,20)/t20-;19-;12?,19-;12-,19-;18-;17-/m000000/s1.

What are the key properties of (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one?

(6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one has a molecular weight of 2080.65 g/mol, XLogP of 14.88, 12 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-2-amino-6-[4-amino-5-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-methyl-5-(3-prop-1-ynylphenyl)pyrazol-3-yl]-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-prop-1-ynylbenzonitrile;(6S)-2-amino-6-[4-(5-ethynyl-3-pyridinyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-3,5,6-trimethyl-6-[2-(3-prop-1-ynylphenyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 160948334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).