4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

C98H109ClN22O10S2 — CID 172987519

IUPAC4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(CC(C)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(CS(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2cccc(C(=O)N3CCOCC3)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(/C(N)=N/O)cc2)nc(N)n1
InChIInChI=1S/C21H22ClN5O.C18H18N4O2.C17H20N4O2.C15H17N3O.C14H17N3O2S.C13H15N3O2S/c1-13-17(6-3-7-18(13)22)19-12-16(25-21(24)26-19)5-2-4-14-8-10-15(11-9-14)20(23)27-28;1-20-17-11-15(21-18(19)22-17)12-4-6-13(7-5-12)16(23)9-8-14-3-2-10-24-14;1-2-14-11-15(20-17(18)19-14)12-4-3-5-13(10-12)16(22)21-6-8-23-9-7-21;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-12-8-13(17-14(15)16-12)11-6-4-10(5-7-11)9-20(2,18)19;1-3-10-8-12(16-13(14)15-10)9-4-6-11(7-5-9)19(2,17)18/h3,6-12,28H,2,4-5H2,1H3,(H2,23,27)(H2,24,25,26);2-7,10-11H,8-9H2,1H3,(H3,19,20,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyPOMLEJAYZNOXGE-UHFFFAOYSA-N
MW1854.68 g/mol
LogP14.84
Rot. Bonds26

About 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine

4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 172987519) has the molecular formula C98H109ClN22O10S2 and a molecular weight of 1854.68 g/mol. Its IUPAC name is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID172987519
Molecular FormulaC98H109ClN22O10S2
Molecular Weight1854.68 g/mol
Exact Mass1852.78
IUPAC Name4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCCc1cc(-c2ccc(CC(C)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(CS(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2cccc(C(=O)N3CCOCC3)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(/C(N)=N/O)cc2)nc(N)n1
InChIInChI=1S/C21H22ClN5O.C18H18N4O2.C17H20N4O2.C15H17N3O.C14H17N3O2S.C13H15N3O2S/c1-13-17(6-3-7-18(13)22)19-12-16(25-21(24)26-19)5-2-4-14-8-10-15(11-9-14)20(23)27-28;1-20-17-11-15(21-18(19)22-17)12-4-6-13(7-5-12)16(23)9-8-14-3-2-10-24-14;1-2-14-11-15(20-17(18)19-14)12-4-3-5-13(10-12)16(22)21-6-8-23-9-7-21;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-12-8-13(17-14(15)16-12)11-6-4-10(5-7-11)9-20(2,18)19;1-3-10-8-12(16-13(14)15-10)9-4-6-11(7-5-9)19(2,17)18/h3,6-12,28H,2,4-5H2,1H3,(H2,23,27)(H2,24,25,26);2-7,10-11H,8-9H2,1H3,(H3,19,20,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyPOMLEJAYZNOXGE-UHFFFAOYSA-N
XLogP14.84
TPSA526.54 Ų
H-Bond Donors9
H-Bond Acceptors30
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001854.68
LogP ≤ 514.84
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine (CID 172987519) is 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine is CCc1cc(-c2ccc(CC(C)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(CS(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2cccc(C(=O)N3CCOCC3)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)CCc3ccco3)cc2)nc(N)n1.Cc1c(Cl)cccc1-c1cc(CCCc2ccc(/C(N)=N/O)cc2)nc(N)n1.
What is the InChIKey of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is POMLEJAYZNOXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O.C18H18N4O2.C17H20N4O2.C15H17N3O.C14H17N3O2S.C13H15N3O2S/c1-13-17(6-3-7-18(13)22)19-12-16(25-21(24)26-19)5-2-4-14-8-10-15(11-9-14)20(23)27-28;1-20-17-11-15(21-18(19)22-17)12-4-6-13(7-5-12)16(23)9-8-14-3-2-10-24-14;1-2-14-11-15(20-17(18)19-14)12-4-3-5-13(10-12)16(22)21-6-8-23-9-7-21;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-12-8-13(17-14(15)16-12)11-6-4-10(5-7-11)9-20(2,18)19;1-3-10-8-12(16-13(14)15-10)9-4-6-11(7-5-9)19(2,17)18/h3,6-12,28H,2,4-5H2,1H3,(H2,23,27)(H2,24,25,26);2-7,10-11H,8-9H2,1H3,(H3,19,20,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine?
4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 1854.68 g/mol, XLogP of 14.84, 26 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]propyl]-N'-hydroxybenzenecarboximidamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;1-[4-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]-3-(furan-2-yl)propan-1-one;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 172987519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).