N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide

C23H21N5O2 — CID 112854465

IUPACN-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C23H21N5O2/c1-14-9-10-18(11-15(14)2)24-23(29)19-13-20(26-21-12-16(3)30-28-21)27-22(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,29)(H,25,26,27,28)
InChIKeyWVMWXAZGAFEICU-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.05
Rot. Bonds5

About N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide

N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112854465) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112854465
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
SMILESCc1cc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(-c3ccccc3)n2)no1
InChIInChI=1S/C23H21N5O2/c1-14-9-10-18(11-15(14)2)24-23(29)19-13-20(26-21-12-16(3)30-28-21)27-22(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,29)(H,25,26,27,28)
InChIKeyWVMWXAZGAFEICU-UHFFFAOYSA-N
XLogP5.05
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472
N-(3,4-dimethoxyphenyl)-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 112850763
6-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112881709
N-(3-chloro-4-methylphenyl)-2-phenyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 112852047
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 112850793

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide (CID 112854465) is N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide is Cc1cc(Nc2cc(C(=O)Nc3ccc(C)c(C)c3)nc(-c3ccccc3)n2)no1.
What is the InChIKey of N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is WVMWXAZGAFEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-9-10-18(11-15(14)2)24-23(29)19-13-20(26-21-12-16(3)30-28-21)27-22(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,24,29)(H,25,26,27,28).
What are the key properties of N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).