4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine

C7H7Cl2F2N3 — CID 164908197

IUPAC4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine
SMILESCC(F)(F)Cc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2F2N3/c1-7(10,11)2-3-4(8)13-6(12)14-5(3)9/h2H2,1H3,(H2,12,13,14)
InChIKeyKVYKQMBBISXRGN-UHFFFAOYSA-N
MW242.06 g/mol
LogP2.56
Rot. Bonds2

About 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine

4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine (PubChem CID 164908197) has the molecular formula C7H7Cl2F2N3 and a molecular weight of 242.06 g/mol. Its IUPAC name is 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine
PubChem CID164908197
Molecular FormulaC7H7Cl2F2N3
Molecular Weight242.06 g/mol
Exact Mass241.00
IUPAC Name4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine
SMILESCC(F)(F)Cc1c(Cl)nc(N)nc1Cl
InChIInChI=1S/C7H7Cl2F2N3/c1-7(10,11)2-3-4(8)13-6(12)14-5(3)9/h2H2,1H3,(H2,12,13,14)
InChIKeyKVYKQMBBISXRGN-UHFFFAOYSA-N
XLogP2.56
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine (CID 164908197) is 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine is CC(F)(F)Cc1c(Cl)nc(N)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine?
The InChIKey is KVYKQMBBISXRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2F2N3/c1-7(10,11)2-3-4(8)13-6(12)14-5(3)9/h2H2,1H3,(H2,12,13,14).
What are the key properties of 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine?
4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine has a molecular weight of 242.06 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(2,2-difluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 164908197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).