6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine

C13H20ClN3 — CID 80970697

IUPAC6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CCCC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-6-11-16-12(14)9(2)13(17-11)15-10-7-4-5-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJCEBOGUFLRWUKW-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.75
Rot. Bonds4

About 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine

6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80970697) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80970697
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(NC2CCCC2)n1
InChIInChI=1S/C13H20ClN3/c1-3-6-11-16-12(14)9(2)13(17-11)15-10-7-4-5-8-10/h10H,3-8H2,1-2H3,(H,15,16,17)
InChIKeyJCEBOGUFLRWUKW-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80972579
6-chloro-N-cyclohex-3-en-1-yl-5-methyl-2-propylpyrimidin-4-amine
CID 114156780
6-chloro-5-methyl-N-(2-methylcyclopropyl)-2-propylpyrimidin-4-amine
CID 80971739
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
5-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80978849
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309
6-chloro-N-cyclohexyl-2,5-dimethylpyrimidin-4-amine
CID 63736474
6-chloro-N-(4,4-dimethylcyclohexyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80978454
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]-1-methylpyrrolidin-2-one
CID 106257553
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine (CID 80970697) is 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(NC2CCCC2)n1.
What is the InChIKey of 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is JCEBOGUFLRWUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-3-6-11-16-12(14)9(2)13(17-11)15-10-7-4-5-8-10/h10H,3-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine?
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80970697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).