6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

C21H22N4O2 — CID 109370374

IUPAC6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-23-19(21(26)25(2)17-7-5-4-6-8-17)13-20(24-15)22-14-16-9-11-18(27-3)12-10-16/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyAASPTXBECVCUJC-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.68
Rot. Bonds6

About 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide

6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (PubChem CID 109370374) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
PubChem CID109370374
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
SMILESCOc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-23-19(21(26)25(2)17-7-5-4-6-8-17)13-20(24-15)22-14-16-9-11-18(27-3)12-10-16/h4-13H,14H2,1-3H3,(H,22,23,24)
InChIKeyAASPTXBECVCUJC-UHFFFAOYSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385
6-[2-(4-methoxyphenoxy)ethylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109373626
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-[(4-methoxyphenyl)methylamino]-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109370368
6-(furan-2-ylmethylamino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109367985
N,2-dimethyl-N-phenyl-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109373533
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
N-benzyl-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109368383
N-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109347313

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide (CID 109370374) is 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is COc1ccc(CNc2cc(C(=O)N(C)c3ccccc3)nc(C)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
The InChIKey is AASPTXBECVCUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-23-19(21(26)25(2)17-7-5-4-6-8-17)13-20(24-15)22-14-16-9-11-18(27-3)12-10-16/h4-13H,14H2,1-3H3,(H,22,23,24).
What are the key properties of 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide?
6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).