2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide

C21H28N4O — CID 109322163

IUPAC2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H28N4O/c1-15(2)25(14-17-9-5-4-6-10-17)21-22-16(3)13-19(24-21)20(26)23-18-11-7-8-12-18/h4-6,9-10,13,15,18H,7-8,11-12,14H2,1-3H3,(H,23,26)
InChIKeyRHMKCZKGHQQQLM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.87
Rot. Bonds6

About 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide

2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109322163) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
PubChem CID109322163
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H28N4O/c1-15(2)25(14-17-9-5-4-6-10-17)21-22-16(3)13-19(24-21)20(26)23-18-11-7-8-12-18/h4-6,9-10,13,15,18H,7-8,11-12,14H2,1-3H3,(H,23,26)
InChIKeyRHMKCZKGHQQQLM-UHFFFAOYSA-N
XLogP3.87
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
CID 109322795
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
2-[benzyl(propan-2-yl)amino]-N-(4-chlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109333030
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330248
5-[benzyl(propan-2-yl)amino]-N-cyclopropylpyridine-2-carboxamide
CID 109179910
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
2-(4-benzylpiperazin-1-yl)-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322138
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide (CID 109322163) is 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCC2)nc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is RHMKCZKGHQQQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15(2)25(14-17-9-5-4-6-10-17)21-22-16(3)13-19(24-21)20(26)23-18-11-7-8-12-18/h4-6,9-10,13,15,18H,7-8,11-12,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide?
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).