4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

C13H22N4 — CID 75421941

IUPAC4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-16(2)13-14-10-9-12(15-13)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyNHYGINQQLWUFNW-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.31
Rot. Bonds3

About 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine

4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 75421941) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID75421941
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCCCC2)n1
InChIInChI=1S/C13H22N4/c1-16(2)13-14-10-9-12(15-13)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
InChIKeyNHYGINQQLWUFNW-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-N,N-dimethylpyrimidin-4-amine
CID 95975
4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
N-cyclohexylpyrimidin-2-amine
CID 21252719
N,N-Dimethylpyrimidin-4-amine
CID 579196
N1-(4-(azepan-1-yl)pyrimidin-2-yl)ethane-1,2-diamine
CID 10198583
4-(4-Methylpiperazin-1-YL)pyrimidin-2-amine
CID 25128833
N-cyclopentyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227085
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
N-butyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227143
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-propan-2-ylpyrimidin-2-amine
CID 58227157
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-cyclopentyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 58227252

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 75421941) is 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is NHYGINQQLWUFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13-14-10-9-12(15-13)17(3)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 75421941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).