N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide

C21H23N5O2S — CID 16660909

IUPACN-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccncc2)nc(NCCO)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N5O2S/c1-13-4-5-16(12-14(13)2)24-20(28)17-19(23-10-11-27)25-18(26-21(17)29-3)15-6-8-22-9-7-15/h4-9,12,27H,10-11H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyNQJHRHOXROFCBD-UHFFFAOYSA-N
MW409.52 g/mol
LogP3.53
Rot. Bonds7

About N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide

N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (PubChem CID 16660909) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
PubChem CID16660909
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccncc2)nc(NCCO)c1C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C21H23N5O2S/c1-13-4-5-16(12-14(13)2)24-20(28)17-19(23-10-11-27)25-18(26-21(17)29-3)15-6-8-22-9-7-15/h4-9,12,27H,10-11H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyNQJHRHOXROFCBD-UHFFFAOYSA-N
XLogP3.53
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-difluorophenyl)-4-(methylamino)-6-methylsulfanyl-2-(4-methylsulfanylphenyl)pyrimidine-5-carboxamide
CID 16661215
1-[4-[4-(2-hydroxyethylamino)-5-methylsulfanyl-6-pyridin-4-ylpyrimidin-2-yl]phenyl]-3-phenylthiourea
CID 88918904
N-(4-methylphenyl)-4-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 143426015
5-amino-N-(3,4-dimethylphenyl)-1-[5-(4-fluorophenyl)-6-pyridin-4-yl-2-(trifluoromethyl)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxamide
CID 24957543
N-(3,4-dimethylphenyl)-2-pyridin-4-ylacetamide
CID 110697303
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
N-(3,4-dimethylphenyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 42749800
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-(3,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865072
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide (CID 16660909) is N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is CSc1nc(-c2ccncc2)nc(NCCO)c1C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
The InChIKey is NQJHRHOXROFCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-4-5-16(12-14(13)2)24-20(28)17-19(23-10-11-27)25-18(26-21(17)29-3)15-6-8-22-9-7-15/h4-9,12,27H,10-11H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide?
N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(2-hydroxyethylamino)-6-methylsulfanyl-2-pyridin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 16660909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).