N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide

C23H26N4O — CID 109362083

IUPACN-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17(2)15-24-22-14-21(25-18(3)26-22)23(28)27(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26)
InChIKeyUXRBEOQDYAIEKZ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.70
Rot. Bonds7

About N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide

N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide (PubChem CID 109362083) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
PubChem CID109362083
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
SMILESCc1nc(NCC(C)C)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1
InChIInChI=1S/C23H26N4O/c1-17(2)15-24-22-14-21(25-18(3)26-22)23(28)27(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26)
InChIKeyUXRBEOQDYAIEKZ-UHFFFAOYSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide
CID 109362029
N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360923
N-ethyl-2-methyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373544
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-benzyl-N,2-dimethyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360400
N-ethyl-2-methyl-6-[(2-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368555
2-methyl-N-(2-methylpropyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109362188
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
6-(cyclopropylamino)-N-ethyl-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360869
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-benzyl-6-(butan-2-ylamino)-N-ethyl-2-methylpyrimidine-4-carboxamide
CID 109362341

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide (CID 109362083) is N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide is Cc1nc(NCC(C)C)cc(C(=O)N(Cc2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
The InChIKey is UXRBEOQDYAIEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-17(2)15-24-22-14-21(25-18(3)26-22)23(28)27(20-12-8-5-9-13-20)16-19-10-6-4-7-11-19/h4-14,17H,15-16H2,1-3H3,(H,24,25,26).
What are the key properties of N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide?
N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-(2-methylpropylamino)-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).