N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

C18H19N5O2 — CID 109369543

IUPACN-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-9-17(22-25-12)21-16-10-15(19-13(2)20-16)18(24)23(3)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,19,20,21,22)
InChIKeyWTVNOMKQGAKEJS-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide

N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (PubChem CID 109369543) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
PubChem CID109369543
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
SMILESCc1nc(Nc2cc(C)on2)cc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-9-17(22-25-12)21-16-10-15(19-13(2)20-16)18(24)23(3)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,19,20,21,22)
InChIKeyWTVNOMKQGAKEJS-UHFFFAOYSA-N
XLogP3.10
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109348006
N-benzyl-6-(4-methoxyanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369513
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-benzyl-6-(3-chloro-2-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 109369504
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
N-benzyl-N-methyl-4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]benzamide
CID 109060736
N-benzyl-N,2,2-trimethyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108962380
N-[2-(4-fluorophenyl)ethyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109372001
6-(4-acetylpiperazin-1-yl)-N-benzyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109367712
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide (CID 109369543) is N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is Cc1nc(Nc2cc(C)on2)cc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
The InChIKey is WTVNOMKQGAKEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-9-17(22-25-12)21-16-10-15(19-13(2)20-16)18(24)23(3)11-14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,19,20,21,22).
What are the key properties of N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide?
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109369543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).