2-chloro-5-fluoro-N-propylpyrimidin-4-amine

C7H9ClFN3 — CID 79080799

IUPAC2-chloro-5-fluoro-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c1-2-3-10-6-5(9)4-11-7(8)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyYDVGLYUHPMULJC-UHFFFAOYSA-N
MW189.62 g/mol
LogP2.09
Rot. Bonds3

About 2-chloro-5-fluoro-N-propylpyrimidin-4-amine

2-chloro-5-fluoro-N-propylpyrimidin-4-amine (PubChem CID 79080799) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-propylpyrimidin-4-amine
PubChem CID79080799
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name2-chloro-5-fluoro-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(Cl)ncc1F
InChIInChI=1S/C7H9ClFN3/c1-2-3-10-6-5(9)4-11-7(8)12-6/h4H,2-3H2,1H3,(H,10,11,12)
InChIKeyYDVGLYUHPMULJC-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-propylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-propylpyrimidin-4-amine (CID 79080799) is 2-chloro-5-fluoro-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-propylpyrimidin-4-amine is CCCNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-propylpyrimidin-4-amine?
The InChIKey is YDVGLYUHPMULJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3/c1-2-3-10-6-5(9)4-11-7(8)12-6/h4H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-chloro-5-fluoro-N-propylpyrimidin-4-amine?
2-chloro-5-fluoro-N-propylpyrimidin-4-amine has a molecular weight of 189.62 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79080799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).