4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine

C18H24N4 — CID 112909804

IUPAC4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(22(2)13-15-8-4-3-5-9-15)21-18(19-14)20-16-10-6-7-11-16/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyVHCUDSSSOKUFLD-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.78
Rot. Bonds5

About 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine

4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 112909804) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID112909804
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
SMILESCc1cc(N(C)Cc2ccccc2)nc(NC2CCCC2)n1
InChIInChI=1S/C18H24N4/c1-14-12-17(22(2)13-15-8-4-3-5-9-15)21-18(19-14)20-16-10-6-7-11-16/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21)
InChIKeyVHCUDSSSOKUFLD-UHFFFAOYSA-N
XLogP3.78
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
N-benzyl-2-hydrazinyl-N,6-dimethylpyrimidin-4-amine
CID 80918150
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916958
4-N-benzyl-2-N-[2-(dimethylamino)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112912954
4-N-benzyl-2-N-(4-chlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916973
4-N-benzyl-2-N-(4-ethylphenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112916961
4-N-benzyl-2-N-(3,4-dichlorophenyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112917025
2-N-benzyl-4-N-cyclopentyl-2-N-methylpyrimidine-2,4-diamine
CID 112884136
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909437
4-N-benzyl-2-N-cyclopentyl-4-N-ethylpyrimidine-2,4-diamine
CID 112884331

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine (CID 112909804) is 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine is Cc1cc(N(C)Cc2ccccc2)nc(NC2CCCC2)n1.
What is the InChIKey of 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is VHCUDSSSOKUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-12-17(22(2)13-15-8-4-3-5-9-15)21-18(19-14)20-16-10-6-7-11-16/h3-5,8-9,12,16H,6-7,10-11,13H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine?
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).