1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine

C90H109N17O2 — CID 158506785

IUPAC1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine
SMILESC=Cc1ccc(-c2cc(CC)nc(N)n2)cc1.CCc1cc(-c2cccc(C(=O)Cc3ccc(C)cc3)c2)nc(N)n1.Cc1cccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCOCC3)nc(N)n2)c1C
InChIInChI=1S/C21H21N3O.C20H28N4.C19H26N4O.C16H19N3.C14H15N3/c1-3-18-13-19(24-21(22)23-18)16-5-4-6-17(12-16)20(25)11-15-9-7-14(2)8-10-15;1-15-8-6-10-18(16(15)2)19-14-17(22-20(21)23-19)9-7-13-24-11-4-3-5-12-24;1-14-5-3-7-17(15(14)2)18-13-16(21-19(20)22-18)6-4-8-23-9-11-24-12-10-23;1-10-4-3-5-14(11(10)2)15-9-13(8-12-6-7-12)18-16(17)19-15;1-3-10-5-7-11(8-6-10)13-9-12(4-2)16-14(15)17-13/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24);6,8,10,14H,3-5,7,9,11-13H2,1-2H3,(H2,21,22,23);3,5,7,13H,4,6,8-12H2,1-2H3,(H2,20,21,22);3-5,9,12H,6-8H2,1-2H3,(H2,17,18,19);3,5-9H,1,4H2,2H3,(H2,15,16,17)
InChIKeyHKODASSZKSUHBP-UHFFFAOYSA-N
MW1460.98 g/mol
LogP16.62
Rot. Bonds21

About 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine

1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine (PubChem CID 158506785) has the molecular formula C90H109N17O2 and a molecular weight of 1460.98 g/mol. Its IUPAC name is 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine
PubChem CID158506785
Molecular FormulaC90H109N17O2
Molecular Weight1460.98 g/mol
Exact Mass1459.90
IUPAC Name1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine
SMILESC=Cc1ccc(-c2cc(CC)nc(N)n2)cc1.CCc1cc(-c2cccc(C(=O)Cc3ccc(C)cc3)c2)nc(N)n1.Cc1cccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCOCC3)nc(N)n2)c1C
InChIInChI=1S/C21H21N3O.C20H28N4.C19H26N4O.C16H19N3.C14H15N3/c1-3-18-13-19(24-21(22)23-18)16-5-4-6-17(12-16)20(25)11-15-9-7-14(2)8-10-15;1-15-8-6-10-18(16(15)2)19-14-17(22-20(21)23-19)9-7-13-24-11-4-3-5-12-24;1-14-5-3-7-17(15(14)2)18-13-16(21-19(20)22-18)6-4-8-23-9-11-24-12-10-23;1-10-4-3-5-14(11(10)2)15-9-13(8-12-6-7-12)18-16(17)19-15;1-3-10-5-7-11(8-6-10)13-9-12(4-2)16-14(15)17-13/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24);6,8,10,14H,3-5,7,9,11-13H2,1-2H3,(H2,21,22,23);3,5,7,13H,4,6,8-12H2,1-2H3,(H2,20,21,22);3-5,9,12H,6-8H2,1-2H3,(H2,17,18,19);3,5-9H,1,4H2,2H3,(H2,15,16,17)
InChIKeyHKODASSZKSUHBP-UHFFFAOYSA-N
XLogP16.62
TPSA291.78 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.98
LogP ≤ 516.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine with MolForge

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Related Compounds

1-[3-(2,6-Dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 149456997
2-[3-(Difluoromethyl)phenyl]-1-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]ethanone
CID 158027546
N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-propan-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 159458081
N-[4-methyl-3-(2-morpholin-4-yl-6-propan-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-6-prop-1-en-2-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 159501804
3-(2-amino-6-methylpyrimidin-4-yl)-1-[[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]methyl]-7H-isoquinolin-8-one
CID 58093633
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methylbenzaldehyde
CID 126516245
1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone;(NE)-N-[1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethylidene]hydroxylamine
CID 136364109
2-[3-[2-[3-[2-(Ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-oxoethyl]phenyl]-2-methylpropanenitrile
CID 147723918
1-[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]phenyl]propan-1-one
CID 147898145
3-[2,4-bis[(3R)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-[2-[2-[[3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoyl]amino]ethoxy]ethyl]benzamide
CID 153496427
1-[3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]phenyl]ethanone
CID 155131216
3-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]benzamide
CID 155131241

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine?
The IUPAC name of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine (CID 158506785) is 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine?
The canonical SMILES for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine is C=Cc1ccc(-c2cc(CC)nc(N)n2)cc1.CCc1cc(-c2cccc(C(=O)Cc3ccc(C)cc3)c2)nc(N)n1.Cc1cccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCCCC3)nc(N)n2)c1C.Cc1cccc(-c2cc(CCCN3CCOCC3)nc(N)n2)c1C.
What is the InChIKey of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine?
The InChIKey is HKODASSZKSUHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C20H28N4.C19H26N4O.C16H19N3.C14H15N3/c1-3-18-13-19(24-21(22)23-18)16-5-4-6-17(12-16)20(25)11-15-9-7-14(2)8-10-15;1-15-8-6-10-18(16(15)2)19-14-17(22-20(21)23-19)9-7-13-24-11-4-3-5-12-24;1-14-5-3-7-17(15(14)2)18-13-16(21-19(20)22-18)6-4-8-23-9-11-24-12-10-23;1-10-4-3-5-14(11(10)2)15-9-13(8-12-6-7-12)18-16(17)19-15;1-3-10-5-7-11(8-6-10)13-9-12(4-2)16-14(15)17-13/h4-10,12-13H,3,11H2,1-2H3,(H2,22,23,24);6,8,10,14H,3-5,7,9,11-13H2,1-2H3,(H2,21,22,23);3,5,7,13H,4,6,8-12H2,1-2H3,(H2,20,21,22);3-5,9,12H,6-8H2,1-2H3,(H2,17,18,19);3,5-9H,1,4H2,2H3,(H2,15,16,17).
What are the key properties of 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine?
1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine has a molecular weight of 1460.98 g/mol, XLogP of 16.62, 21 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2-(4-methylphenyl)ethanone;4-(cyclopropylmethyl)-6-(2,3-dimethylphenyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-morpholin-4-ylpropyl)pyrimidin-2-amine;4-(2,3-dimethylphenyl)-6-(3-piperidin-1-ylpropyl)pyrimidin-2-amine;4-(4-ethenylphenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158506785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).