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

C23H21N5O2 — CID 112854472

IUPACN-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-3-28(18-12-8-5-9-13-18)23(29)19-15-20(25-21-14-16(2)30-27-21)26-22(24-19)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyIEWJXCKQNJLCCA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.85
Rot. Bonds6

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

N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide (PubChem CID 112854472) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
PubChem CID112854472
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC NameN-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C23H21N5O2/c1-3-28(18-12-8-5-9-13-18)23(29)19-15-20(25-21-14-16(2)30-27-21)26-22(24-19)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3,(H,24,25,26,27)
InChIKeyIEWJXCKQNJLCCA-UHFFFAOYSA-N
XLogP4.85
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851537
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852983
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049803
N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854465
N-benzyl-N,2-dimethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109369543
6-(3-acetylanilino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112849535
4-N-cyclopropyl-6-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112879570
6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide (CID 112854472) is N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide is CCN(C(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide?
The InChIKey is IEWJXCKQNJLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-28(18-12-8-5-9-13-18)23(29)19-15-20(25-21-14-16(2)30-27-21)26-22(24-19)17-10-6-4-7-11-17/h4-15H,3H2,1-2H3,(H,24,25,26,27).
What are the key properties of N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide?
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112854472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).