4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine

C6H6ClF2N3O — CID 171716703

IUPAC4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
SMILESCOc1nc(C(F)F)nc(Cl)c1N
InChIInChI=1S/C6H6ClF2N3O/c1-13-6-2(10)3(7)11-5(12-6)4(8)9/h4H,10H2,1H3
InChIKeyJYOHWPGWGAHINC-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.66
Rot. Bonds2

About 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine

4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine (PubChem CID 171716703) has the molecular formula C6H6ClF2N3O and a molecular weight of 209.58 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
PubChem CID171716703
Molecular FormulaC6H6ClF2N3O
Molecular Weight209.58 g/mol
Exact Mass209.02
IUPAC Name4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine
SMILESCOc1nc(C(F)F)nc(Cl)c1N
InChIInChI=1S/C6H6ClF2N3O/c1-13-6-2(10)3(7)11-5(12-6)4(8)9/h4H,10H2,1H3
InChIKeyJYOHWPGWGAHINC-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine (CID 171716703) is 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine is COc1nc(C(F)F)nc(Cl)c1N.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine?
The InChIKey is JYOHWPGWGAHINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3O/c1-13-6-2(10)3(7)11-5(12-6)4(8)9/h4H,10H2,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine?
4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine has a molecular weight of 209.58 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-6-methoxypyrimidin-5-amine is sourced from PubChem (CID 171716703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).