4-chloro-6-(difluoromethyl)pyrimidin-5-amine

C5H4ClF2N3 — CID 99981311

IUPAC4-chloro-6-(difluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C(F)F
InChIInChI=1S/C5H4ClF2N3/c6-4-2(9)3(5(7)8)10-1-11-4/h1,5H,9H2
InChIKeyLWBODZZSKKYQEY-UHFFFAOYSA-N
MW179.56 g/mol
LogP1.65
Rot. Bonds1

About 4-chloro-6-(difluoromethyl)pyrimidin-5-amine

4-chloro-6-(difluoromethyl)pyrimidin-5-amine (PubChem CID 99981311) has the molecular formula C5H4ClF2N3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)pyrimidin-5-amine
PubChem CID99981311
Molecular FormulaC5H4ClF2N3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name4-chloro-6-(difluoromethyl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1C(F)F
InChIInChI=1S/C5H4ClF2N3/c6-4-2(9)3(5(7)8)10-1-11-4/h1,5H,9H2
InChIKeyLWBODZZSKKYQEY-UHFFFAOYSA-N
XLogP1.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.56
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(difluoromethyl)pyrimidin-5-amine (CID 99981311) is 4-chloro-6-(difluoromethyl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)pyrimidin-5-amine is Nc1c(Cl)ncnc1C(F)F.
What is the InChIKey of 4-chloro-6-(difluoromethyl)pyrimidin-5-amine?
The InChIKey is LWBODZZSKKYQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3/c6-4-2(9)3(5(7)8)10-1-11-4/h1,5H,9H2.
What are the key properties of 4-chloro-6-(difluoromethyl)pyrimidin-5-amine?
4-chloro-6-(difluoromethyl)pyrimidin-5-amine has a molecular weight of 179.56 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)pyrimidin-5-amine is sourced from PubChem (CID 99981311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).