N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

C18H19N5O2 — CID 109365824

IUPACN-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC2CCCO2)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C18H19N5O2/c1-12-21-16(9-17(22-12)20-11-15-6-3-7-25-15)18(24)23-14-5-2-4-13(8-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyKZVVAOLCWBIECM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.50
Rot. Bonds5

About N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109365824) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109365824
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCC2CCCO2)cc(C(=O)Nc2cccc(C#N)c2)n1
InChIInChI=1S/C18H19N5O2/c1-12-21-16(9-17(22-12)20-11-15-6-3-7-25-15)18(24)23-14-5-2-4-13(8-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyKZVVAOLCWBIECM-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-dimethylphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365751
N-(4-methoxyphenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365780
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365830
N-tert-butyl-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365728
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
N-(4-methylphenyl)-6-(oxolan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853553
3-cyano-N-[3-fluoro-4-[[(2R)-oxolan-2-yl]methylamino]phenyl]benzamide
CID 95633182
N-(3-cyanophenyl)-2-methyl-6-(2-methylanilino)pyrimidine-4-carboxamide
CID 112848112
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
3-[[6-(oxolan-2-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112857362
2-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 108994419
N-(3-cyanophenyl)-6-[(2-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370268

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109365824) is N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCC2CCCO2)cc(C(=O)Nc2cccc(C#N)c2)n1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is KZVVAOLCWBIECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-21-16(9-17(22-12)20-11-15-6-3-7-25-15)18(24)23-14-5-2-4-13(8-14)10-19/h2,4-5,8-9,15H,3,6-7,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).