2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine

C12H14ClF2N3 — CID 139300338

IUPAC2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(C3CC3)nc(Cl)n2)C1
InChIInChI=1S/C12H14ClF2N3/c13-11-17-9(7-1-2-7)5-10(18-11)16-8-3-4-12(14,15)6-8/h5,7-8H,1-4,6H2,(H,16,17,18)
InChIKeyCZNCZIKBIHMPGX-UHFFFAOYSA-N
MW273.71 g/mol
LogP3.61
Rot. Bonds3

About 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine

2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine (PubChem CID 139300338) has the molecular formula C12H14ClF2N3 and a molecular weight of 273.71 g/mol. Its IUPAC name is 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine
PubChem CID139300338
Molecular FormulaC12H14ClF2N3
Molecular Weight273.71 g/mol
Exact Mass273.08
IUPAC Name2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(C3CC3)nc(Cl)n2)C1
InChIInChI=1S/C12H14ClF2N3/c13-11-17-9(7-1-2-7)5-10(18-11)16-8-3-4-12(14,15)6-8/h5,7-8H,1-4,6H2,(H,16,17,18)
InChIKeyCZNCZIKBIHMPGX-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine (CID 139300338) is 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine is FC1(F)CCC(Nc2cc(C3CC3)nc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine?
The InChIKey is CZNCZIKBIHMPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2N3/c13-11-17-9(7-1-2-7)5-10(18-11)16-8-3-4-12(14,15)6-8/h5,7-8H,1-4,6H2,(H,16,17,18).
What are the key properties of 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine?
2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine has a molecular weight of 273.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-cyclopropyl-N-(3,3-difluorocyclopentyl)pyrimidin-4-amine is sourced from PubChem (CID 139300338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).