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

C9H9ClFN5 — CID 106193332

IUPAC2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]ncc1CNc1nc(Cl)ncc1F
InChIInChI=1S/C9H9ClFN5/c1-5-6(3-14-16-5)2-12-8-7(11)4-13-9(10)15-8/h3-4H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyZIOWKNPYCRGXFG-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.91
Rot. Bonds3

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

2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 106193332) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID106193332
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC Name2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1[nH]ncc1CNc1nc(Cl)ncc1F
InChIInChI=1S/C9H9ClFN5/c1-5-6(3-14-16-5)2-12-8-7(11)4-13-9(10)15-8/h3-4H,2H2,1H3,(H,14,16)(H,12,13,15)
InChIKeyZIOWKNPYCRGXFG-UHFFFAOYSA-N
XLogP1.91
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.91
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-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine (CID 106193332) is 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine is Cc1[nH]ncc1CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is ZIOWKNPYCRGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-5-6(3-14-16-5)2-12-8-7(11)4-13-9(10)15-8/h3-4H,2H2,1H3,(H,14,16)(H,12,13,15).
What are the key properties of 2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 241.66 g/mol, XLogP of 1.91, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106193332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).