5-chloro-2,6-difluoropyrimidin-4-amine

C4H2ClF2N3 — CID 22155671

IUPAC5-chloro-2,6-difluoropyrimidin-4-amine
SMILESNc1nc(F)nc(F)c1Cl
InChIInChI=1S/C4H2ClF2N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChIKeyCVBPHXXXRLQRNE-UHFFFAOYSA-N
MW165.53 g/mol
LogP0.99
Rot. Bonds

About 5-chloro-2,6-difluoropyrimidin-4-amine

5-chloro-2,6-difluoropyrimidin-4-amine (PubChem CID 22155671) has the molecular formula C4H2ClF2N3 and a molecular weight of 165.53 g/mol. Its IUPAC name is 5-chloro-2,6-difluoropyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-2,6-difluoropyrimidin-4-amine
PubChem CID22155671
Molecular FormulaC4H2ClF2N3
Molecular Weight165.53 g/mol
Exact Mass164.99
IUPAC Name5-chloro-2,6-difluoropyrimidin-4-amine
SMILESNc1nc(F)nc(F)c1Cl
InChIInChI=1S/C4H2ClF2N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10)
InChIKeyCVBPHXXXRLQRNE-UHFFFAOYSA-N
XLogP0.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.53
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
2,4,5,6-Tetrafluoropyrimidine
CID 136605
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
2,5,6-Trifluoropyrimidin-4-amine
CID 13287430
4,5,6-Trichloropyrimidin-2-amine
CID 345630
2,4,6-Trichloro-5-fluoropyrimidine
CID 13388993
6-Chloro-5-fluoropyrimidin-4-amine
CID 53487969
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
2,5-Difluoro-4,6-dichloropyrimidine
CID 13388992
5-chloro-4,6-difluoroPyrimidine
CID 14670781
Trifluorochloropyrimidine
CID 21919377
5-Chloropyrimidine-2,4,6-triamine
CID 345635

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-difluoropyrimidin-4-amine?
The IUPAC name of 5-chloro-2,6-difluoropyrimidin-4-amine (CID 22155671) is 5-chloro-2,6-difluoropyrimidin-4-amine.
What is the SMILES notation for 5-chloro-2,6-difluoropyrimidin-4-amine?
The canonical SMILES for 5-chloro-2,6-difluoropyrimidin-4-amine is Nc1nc(F)nc(F)c1Cl.
What is the InChIKey of 5-chloro-2,6-difluoropyrimidin-4-amine?
The InChIKey is CVBPHXXXRLQRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF2N3/c5-1-2(6)9-4(7)10-3(1)8/h(H2,8,9,10).
What are the key properties of 5-chloro-2,6-difluoropyrimidin-4-amine?
5-chloro-2,6-difluoropyrimidin-4-amine has a molecular weight of 165.53 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-difluoropyrimidin-4-amine is sourced from PubChem (CID 22155671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).