2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C8H7ClFN5 — CID 50993642

IUPAC2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2F)n[nH]1
InChIInChI=1S/C8H7ClFN5/c1-4-2-6(15-14-4)12-7-5(10)3-11-8(9)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
InChIKeyOJSXSBFSCRGJMK-UHFFFAOYSA-N
MW227.63 g/mol
LogP2.04
Rot. Bonds2

About 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 50993642) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID50993642
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2nc(Cl)ncc2F)n[nH]1
InChIInChI=1S/C8H7ClFN5/c1-4-2-6(15-14-4)12-7-5(10)3-11-8(9)13-7/h2-3H,1H3,(H2,11,12,13,14,15)
InChIKeyOJSXSBFSCRGJMK-UHFFFAOYSA-N
XLogP2.04
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 50993642) is 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2nc(Cl)ncc2F)n[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is OJSXSBFSCRGJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c1-4-2-6(15-14-4)12-7-5(10)3-11-8(9)13-7/h2-3H,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 227.63 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 50993642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).