[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine — IUPAC name, SMILES, InChIKey & properties

Name: [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine

[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 160999557) has the molecular formula C78H90N18O11S3 and a molecular weight of 1551.89 g/mol. Its IUPAC name is [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name	[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
PubChem CID	160999557
Molecular Formula	C78H90N18O11S3
Molecular Weight	1551.89 g/mol
Exact Mass	1550.62
IUPAC Name	[3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine
SMILES	CCc1cc(-c2ccc(CS(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)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
InChI	InChI=1S/C18H18N4O2.C17H20N4O2.C16H20N4O3S.C14H17N3O2S.C13H15N3O2S/c1-20-17-11-15(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;1-2-13-11-15(19-16(17)18-13)12-3-5-14(6-4-12)24(21,22)20-7-9-23-10-8-20;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/h2-7,10-11H,8-9H2,1H3,(H3,19,20,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);3-6,11H,2,7-10H2,1H3,(H2,17,18,19);4-8H,3,9H2,1-2H3,(H2,15,16,17);4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKey	TVRLSHIIVRCYDG-UHFFFAOYSA-N
XLogP	9.77
TPSA	445.67 Å²
H-Bond Donors	6
H-Bond Acceptors	27
Rotatable Bonds	20
Heavy Atoms	110
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1551.89
LogP ≤ 5	9.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Analyze [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?

The IUPAC name of [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine (CID 160999557) is [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine.

What is the SMILES notation for [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?

The canonical SMILES for [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is CCc1cc(-c2ccc(CS(C)(=O)=O)cc2)nc(N)n1.CCc1cc(-c2ccc(S(=O)(=O)N3CCOCC3)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.

What is the InChIKey of [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?

The InChIKey is TVRLSHIIVRCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H20N4O2.C16H20N4O3S.C14H17N3O2S.C13H15N3O2S/c1-20-17-11-15(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;1-2-13-11-15(19-16(17)18-13)12-3-5-14(6-4-12)24(21,22)20-7-9-23-10-8-20;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/h2-7,10-11H,8-9H2,1H3,(H3,19,20,21,22);3-5,10-11H,2,6-9H2,1H3,(H2,18,19,20);3-6,11H,2,7-10H2,1H3,(H2,17,18,19);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 [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine?

Where does this data come from?

All data for [3-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-morpholin-4-ylmethanone;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-ethyl-6-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 160999557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).