N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine

C105H121N27O13S3 — CID 160905773

IUPACN-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
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.CCc1cc(-c2cccc(NC(C)=O)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)NCc3ccco3)cc2)nc(N)n1.CNc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C17H17N5O2.C17H20N4O2.C15H19N5O3S.C15H17N3O.C14H16N4O.C14H17N3O2S.C13H15N3O2S/c1-19-15-9-14(21-17(18)22-15)11-4-6-12(7-5-11)16(23)20-10-13-3-2-8-24-13;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;1-17-14-10-13(18-15(16)19-14)11-2-4-12(5-3-11)24(21,22)20-6-8-23-9-7-20;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-11-8-13(18-14(15)17-11)10-5-4-6-12(7-10)16-9(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/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);2-5,10H,6-9H2,1H3,(H3,16,17,18,19);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeySQCSLWDOKGDEDW-UHFFFAOYSA-N
MW2065.50 g/mol
LogP13.03
Rot. Bonds26

About N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine

N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 160905773) has the molecular formula C105H121N27O13S3 and a molecular weight of 2065.50 g/mol. Its IUPAC name is N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound NameN-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID160905773
Molecular FormulaC105H121N27O13S3
Molecular Weight2065.50 g/mol
Exact Mass2063.88
IUPAC NameN-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine
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.CCc1cc(-c2cccc(NC(C)=O)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)NCc3ccco3)cc2)nc(N)n1.CNc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1
InChIInChI=1S/C17H17N5O2.C17H20N4O2.C15H19N5O3S.C15H17N3O.C14H16N4O.C14H17N3O2S.C13H15N3O2S/c1-19-15-9-14(21-17(18)22-15)11-4-6-12(7-5-11)16(23)20-10-13-3-2-8-24-13;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;1-17-14-10-13(18-15(16)19-14)11-2-4-12(5-3-11)24(21,22)20-6-8-23-9-7-20;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-11-8-13(18-14(15)17-11)10-5-4-6-12(7-10)16-9(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/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);2-5,10H,6-9H2,1H3,(H3,16,17,18,19);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeySQCSLWDOKGDEDW-UHFFFAOYSA-N
XLogP13.03
TPSA619.50 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002065.50
LogP ≤ 513.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine (CID 160905773) is N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine 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.CCc1cc(-c2cccc(NC(C)=O)c2)nc(N)n1.CNc1cc(-c2ccc(C(=O)NCc3ccco3)cc2)nc(N)n1.CNc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc(N)n1.
What is the InChIKey of N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is SQCSLWDOKGDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2.C17H20N4O2.C15H19N5O3S.C15H17N3O.C14H16N4O.C14H17N3O2S.C13H15N3O2S/c1-19-15-9-14(21-17(18)22-15)11-4-6-12(7-5-11)16(23)20-10-13-3-2-8-24-13;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;1-17-14-10-13(18-15(16)19-14)11-2-4-12(5-3-11)24(21,22)20-6-8-23-9-7-20;1-3-13-9-14(18-15(16)17-13)12-6-4-11(5-7-12)8-10(2)19;1-3-11-8-13(18-14(15)17-11)10-5-4-6-12(7-10)16-9(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/h2-9H,10H2,1H3,(H,20,23)(H3,18,19,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);2-5,10H,6-9H2,1H3,(H3,16,17,18,19);4-7,9H,3,8H2,1-2H3,(H2,16,17,18);4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18);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 N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine?
N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 2065.50 g/mol, XLogP of 13.03, 26 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]acetamide;[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]propan-2-one;4-[2-amino-6-(methylamino)pyrimidin-4-yl]-N-(furan-2-ylmethyl)benzamide;4-ethyl-6-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-ethyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine;4-N-methyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 160905773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).