2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide

C21H22N4O2 — CID 20959733

IUPAC2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccccc3C)c(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-4-5-7-19(14)25-20(26)18-13-23-21(24-15(18)2)22-12-16-8-10-17(27-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyANMVEMYPCUNWOB-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide

2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 20959733) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
PubChem CID20959733
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(CNc2ncc(C(=O)Nc3ccccc3C)c(C)n2)cc1
InChIInChI=1S/C21H22N4O2/c1-14-6-4-5-7-19(14)25-20(26)18-13-23-21(24-15(18)2)22-12-16-8-10-17(27-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24)
InChIKeyANMVEMYPCUNWOB-UHFFFAOYSA-N
XLogP3.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 20959729
N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959868
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
[4-(2-fluorophenyl)piperazin-1-yl]-[2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidin-5-yl]methanone
CID 20959754
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
5-chloro-N-[(4-methoxyphenyl)methyl]-4-methylpyrimidin-2-amine
CID 90902051
N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113027443
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
CID 20959670
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
N-(2,3-dimethylphenyl)-2-methoxy-4-methylpyrimidine-5-carboxamide
CID 53014357

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide (CID 20959733) is 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide is COc1ccc(CNc2ncc(C(=O)Nc3ccccc3C)c(C)n2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ANMVEMYPCUNWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-6-4-5-7-19(14)25-20(26)18-13-23-21(24-15(18)2)22-12-16-8-10-17(27-3)11-9-16/h4-11,13H,12H2,1-3H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide?
2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-4-methyl-N-(2-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 20959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).