6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine

C7H8ClF2N3 — CID 79098170

IUPAC6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(F)F)n1
InChIInChI=1S/C7H8ClF2N3/c1-4-12-5(8)2-7(13-4)11-3-6(9)10/h2,6H,3H2,1H3,(H,11,12,13)
InChIKeyGJSWVZJNSNWUGE-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.12
Rot. Bonds3

About 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine

6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine (PubChem CID 79098170) has the molecular formula C7H8ClF2N3 and a molecular weight of 207.61 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
PubChem CID79098170
Molecular FormulaC7H8ClF2N3
Molecular Weight207.61 g/mol
Exact Mass207.04
IUPAC Name6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Cl)cc(NCC(F)F)n1
InChIInChI=1S/C7H8ClF2N3/c1-4-12-5(8)2-7(13-4)11-3-6(9)10/h2,6H,3H2,1H3,(H,11,12,13)
InChIKeyGJSWVZJNSNWUGE-UHFFFAOYSA-N
XLogP2.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine (CID 79098170) is 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine is Cc1nc(Cl)cc(NCC(F)F)n1.
What is the InChIKey of 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine?
The InChIKey is GJSWVZJNSNWUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3/c1-4-12-5(8)2-7(13-4)11-3-6(9)10/h2,6H,3H2,1H3,(H,11,12,13).
What are the key properties of 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine?
6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine has a molecular weight of 207.61 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoroethyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 79098170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).