5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine

C5H4ClF2N3 — CID 20705364

IUPAC5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(F)nc(F)c1Cl
InChIInChI=1S/C5H4ClF2N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11)
InChIKeyCHXOKTRXMSBIHD-UHFFFAOYSA-N
MW179.56 g/mol
LogP1.45
Rot. Bonds1

About 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine

5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine (PubChem CID 20705364) has the molecular formula C5H4ClF2N3 and a molecular weight of 179.56 g/mol. Its IUPAC name is 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine
PubChem CID20705364
Molecular FormulaC5H4ClF2N3
Molecular Weight179.56 g/mol
Exact Mass179.01
IUPAC Name5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine
SMILESCNc1nc(F)nc(F)c1Cl
InChIInChI=1S/C5H4ClF2N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11)
InChIKeyCHXOKTRXMSBIHD-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
4-Amino-5-chloro-2,6-difluoropyrimidine
CID 22155671
6-Chloro-5-fluoropyrimidin-4-amine
CID 53487969
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
5-chloro-4,6-difluoroPyrimidine
CID 14670781
5-Chloropyrimidine-2,4,6-triamine
CID 345635
N-ethyl-2,6-difluoro-5-methylpyrimidin-4-amine
CID 3879659
4-Azido-5-chloro-2,6-difluoropyrimidine
CID 12596726
2,5-Dichloro-4,6-difluoropyrimidine
CID 14047565
5-Fluoro-6-chloro-2,4-pyrimidinediamine
CID 15221578
N'-(5-chloro-6-fluoropyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 19983567
6-fluoro-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 20403022

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine (CID 20705364) is 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine is CNc1nc(F)nc(F)c1Cl.
What is the InChIKey of 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine?
The InChIKey is CHXOKTRXMSBIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3/c1-9-4-2(6)3(7)10-5(8)11-4/h1H3,(H,9,10,11).
What are the key properties of 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine?
5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine has a molecular weight of 179.56 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-difluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 20705364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).