6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine

C6H7ClF2N4 — CID 71925595

IUPAC6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC(F)F)n1
InChIInChI=1S/C6H7ClF2N4/c7-3-1-5(11-2-4(8)9)13-6(10)12-3/h1,4H,2H2,(H3,10,11,12,13)
InChIKeyWCMTYAFEAKEJJB-UHFFFAOYSA-N
MW208.60 g/mol
LogP1.39
Rot. Bonds3

About 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine

6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine (PubChem CID 71925595) has the molecular formula C6H7ClF2N4 and a molecular weight of 208.60 g/mol. Its IUPAC name is 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine
PubChem CID71925595
Molecular FormulaC6H7ClF2N4
Molecular Weight208.60 g/mol
Exact Mass208.03
IUPAC Name6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(NCC(F)F)n1
InChIInChI=1S/C6H7ClF2N4/c7-3-1-5(11-2-4(8)9)13-6(10)12-3/h1,4H,2H2,(H3,10,11,12,13)
InChIKeyWCMTYAFEAKEJJB-UHFFFAOYSA-N
XLogP1.39
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.60
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine (CID 71925595) is 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(NCC(F)F)n1.
What is the InChIKey of 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is WCMTYAFEAKEJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClF2N4/c7-3-1-5(11-2-4(8)9)13-6(10)12-3/h1,4H,2H2,(H3,10,11,12,13).
What are the key properties of 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 208.60 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2,2-difluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 71925595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).