2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

C8H7ClFN5 — CID 106194384

IUPAC2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccn[nH]1
InChIInChI=1S/C8H7ClFN5/c9-8-12-4-6(10)7(14-8)11-3-5-1-2-13-15-5/h1-2,4H,3H2,(H,13,15)(H,11,12,14)
InChIKeyNADQENPRNLWPBI-UHFFFAOYSA-N
MW227.63 g/mol
LogP1.60
Rot. Bonds3

About 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 106194384) has the molecular formula C8H7ClFN5 and a molecular weight of 227.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID106194384
Molecular FormulaC8H7ClFN5
Molecular Weight227.63 g/mol
Exact Mass227.04
IUPAC Name2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NCc1ccn[nH]1
InChIInChI=1S/C8H7ClFN5/c9-8-12-4-6(10)7(14-8)11-3-5-1-2-13-15-5/h1-2,4H,3H2,(H,13,15)(H,11,12,14)
InChIKeyNADQENPRNLWPBI-UHFFFAOYSA-N
XLogP1.60
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.63
LogP ≤ 51.60
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-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine (CID 106194384) is 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NCc1ccn[nH]1.
What is the InChIKey of 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is NADQENPRNLWPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5/c9-8-12-4-6(10)7(14-8)11-3-5-1-2-13-15-5/h1-2,4H,3H2,(H,13,15)(H,11,12,14).
What are the key properties of 2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 227.63 g/mol, XLogP of 1.60, 3 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-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 106194384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).