2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

C18H19N5O2 — CID 109324832

IUPAC2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C18H19N5O2/c1-12-8-16(17(24)20-11-15-6-3-7-25-15)23-18(21-12)22-14-5-2-4-13(9-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyLUZORZSAWJIYAZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.31
Rot. Bonds5

About 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide

2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109324832) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109324832
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2CCCO2)nc(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C18H19N5O2/c1-12-8-16(17(24)20-11-15-6-3-7-25-15)23-18(21-12)22-14-5-2-4-13(9-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyLUZORZSAWJIYAZ-UHFFFAOYSA-N
XLogP2.31
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252493
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 99780202
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
2-(3-cyanoanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327983
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
2-(3-cyanoanilino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336643
6-methyl-2-[(4-methylphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324696
2-(2-chloro-4,6-dimethylanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324782
2-(3-cyanoanilino)-N-(2,6-difluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338197
6-(3-methoxyanilino)-2-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109365935
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide (CID 109324832) is 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2CCCO2)nc(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is LUZORZSAWJIYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-8-16(17(24)20-11-15-6-3-7-25-15)23-18(21-12)22-14-5-2-4-13(9-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide?
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109324832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).