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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Related Compounds

2-chloro-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194417
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
CID 79081337
2-chloro-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 106193136
2-chloro-N-(1H-pyrazol-5-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 106194374
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
2-chloro-5-fluoro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178030
3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 106014067
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
2-chloro-5-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 79080911
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetaldehyde
CID 144524203
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252

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).