4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

C16H28N4 — CID 112909680

IUPAC4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(NC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-4-10-20(11-5-2)16-17-13(3)12-15(19-16)18-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyVOCRSVOTLBWKER-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.77
Rot. Bonds7

About 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine

4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (PubChem CID 112909680) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
PubChem CID112909680
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
SMILESCCCN(CCC)c1nc(C)cc(NC2CCCC2)n1
InChIInChI=1S/C16H28N4/c1-4-10-20(11-5-2)16-17-13(3)12-15(19-16)18-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19)
InChIKeyVOCRSVOTLBWKER-UHFFFAOYSA-N
XLogP3.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112907456
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
4-N-cyclobutyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80827135
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
6-methyl-4-N-(4-piperidin-1-ylphenyl)-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112926428
2-chloro-N-cyclooctyl-6-methylpyrimidin-4-amine
CID 62477966
4-[[2-(dipropylamino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112926457
4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
N'-(4,6-dimethylpyrimidin-2-yl)-N'-propylethane-1,2-diamine
CID 63766271
4-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112921302
4-methyl-N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909304
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine (CID 112909680) is 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is CCCN(CCC)c1nc(C)cc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
The InChIKey is VOCRSVOTLBWKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-4-10-20(11-5-2)16-17-13(3)12-15(19-16)18-14-8-6-7-9-14/h12,14H,4-11H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine?
4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine is sourced from PubChem (CID 112909680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).