N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide

C21H22N4O2 — CID 109305113

IUPACN-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-25(15-16-8-4-3-5-9-16)20(26)18-12-13-22-21(24-18)23-14-17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyKDLQBYACXDZTJS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide

N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide (PubChem CID 109305113) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
PubChem CID109305113
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1CNc1nccc(C(=O)N(C)Cc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-25(15-16-8-4-3-5-9-16)20(26)18-12-13-22-21(24-18)23-14-17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3,(H,22,23,24)
InChIKeyKDLQBYACXDZTJS-UHFFFAOYSA-N
XLogP3.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109306143
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109097655
N-benzyl-N-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296718
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 109210892
4-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-4-N-methylpyridine-2,4-dicarboxamide
CID 109086172
N-[(2-methoxyphenyl)methyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109306237
N-benzyl-2-(2-ethyl-6-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109305170
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
2-N-benzyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112889572
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109298426
[2-[(2-methoxyphenyl)methylamino]pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302210
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide (CID 109305113) is N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide is COc1ccccc1CNc1nccc(C(=O)N(C)Cc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide?
The InChIKey is KDLQBYACXDZTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(15-16-8-4-3-5-9-16)20(26)18-12-13-22-21(24-18)23-14-17-10-6-7-11-19(17)27-2/h3-13H,14-15H2,1-2H3,(H,22,23,24).
What are the key properties of N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide?
N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109305113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).