2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine

C17H22N4 — CID 112884136

IUPAC2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-21(13-14-7-3-2-4-8-14)17-18-12-11-16(20-17)19-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,18,19,20)
InChIKeyBUPHJRMTEFPJOX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds5

About 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine

2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine (PubChem CID 112884136) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
PubChem CID112884136
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccccc1)c1nccc(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-21(13-14-7-3-2-4-8-14)17-18-12-11-16(20-17)19-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,18,19,20)
InChIKeyBUPHJRMTEFPJOX-UHFFFAOYSA-N
XLogP3.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
2-N-benzyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
CID 112882242
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 129001291
2-N-benzyl-2-N-methyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 112883165
2-N-benzyl-4-N-(3,5-dichlorophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 112891064
4-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882249
2-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 112893028
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033
(2S)-2-[[2-[benzyl(methyl)amino]pyrimidin-4-yl]amino]-3-cyclohexyl-N-ethylpropanamide;yttrium
CID 59414120

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine (CID 112884136) is 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine is CN(Cc1ccccc1)c1nccc(NC2CCCC2)n1.
What is the InChIKey of 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is BUPHJRMTEFPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-21(13-14-7-3-2-4-8-14)17-18-12-11-16(20-17)19-15-9-5-6-10-15/h2-4,7-8,11-12,15H,5-6,9-10,13H2,1H3,(H,18,19,20).
What are the key properties of 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine?
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112884136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).