N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

C22H24N4O — CID 112851537

IUPACN-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NC(C)C)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-26(18-13-9-6-10-14-18)22(27)19-15-20(23-16(2)3)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,24,25)
InChIKeyGOQIGPNIUTYDDD-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.63
Rot. Bonds6

About N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide

N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (PubChem CID 112851537) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
PubChem CID112851537
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1cc(NC(C)C)nc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H24N4O/c1-4-26(18-13-9-6-10-14-18)22(27)19-15-20(23-16(2)3)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,24,25)
InChIKeyGOQIGPNIUTYDDD-UHFFFAOYSA-N
XLogP4.63
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(tert-butylamino)-N-ethyl-N,2-diphenylpyrimidine-4-carboxamide
CID 112854288
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472
N-benzyl-N-methyl-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851483
N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-(4-methylphenyl)-2-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 112851525
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-ethyl-N-phenyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 110857857
6-(2-chloroanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854247
6-(4-acetylanilino)-N,N-diethyl-2-phenylpyrimidine-4-carboxamide
CID 112854257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide (CID 112851537) is N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is CCN(C(=O)c1cc(NC(C)C)nc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
The InChIKey is GOQIGPNIUTYDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-26(18-13-9-6-10-14-18)22(27)19-15-20(23-16(2)3)25-21(24-19)17-11-7-5-8-12-17/h5-16H,4H2,1-3H3,(H,23,24,25).
What are the key properties of N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide?
N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-diphenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112851537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).