6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine

C13H18ClN3 — CID 80970789

IUPAC6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCCC1
InChIInChI=1S/C13H18ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h9-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyGGKZKJURQXVOMW-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.67
Rot. Bonds3

About 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine

6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80970789) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80970789
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC1CCCC1
InChIInChI=1S/C13H18ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h9-10H,2-7H2,1H3,(H,15,16,17)
InChIKeyGGKZKJURQXVOMW-UHFFFAOYSA-N
XLogP3.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80970789) is 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC1CCCC1.
What is the InChIKey of 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is GGKZKJURQXVOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3/c1-8-11(14)16-13(9-6-7-9)17-12(8)15-10-4-2-3-5-10/h9-10H,2-7H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine?
6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 251.76 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-cyclopentyl-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80970789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).