4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine

C15H13ClFN5 — CID 164618782

IUPAC4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2ccc(F)cc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H13ClFN5/c1-22-8-10(6-9-2-4-11(17)5-3-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-5,7-8H,6H2,1H3,(H2,18,19,20)
InChIKeyCYASPEIEAVQOGL-UHFFFAOYSA-N
MW317.76 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine

4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (PubChem CID 164618782) has the molecular formula C15H13ClFN5 and a molecular weight of 317.76 g/mol. Its IUPAC name is 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
PubChem CID164618782
Molecular FormulaC15H13ClFN5
Molecular Weight317.76 g/mol
Exact Mass317.08
IUPAC Name4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
SMILESCn1cc(Cc2ccc(F)cc2)c(-c2cc(Cl)nc(N)n2)n1
InChIInChI=1S/C15H13ClFN5/c1-22-8-10(6-9-2-4-11(17)5-3-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-5,7-8H,6H2,1H3,(H2,18,19,20)
InChIKeyCYASPEIEAVQOGL-UHFFFAOYSA-N
XLogP2.84
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine (CID 164618782) is 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is Cn1cc(Cc2ccc(F)cc2)c(-c2cc(Cl)nc(N)n2)n1.
What is the InChIKey of 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is CYASPEIEAVQOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5/c1-22-8-10(6-9-2-4-11(17)5-3-9)14(21-22)12-7-13(16)20-15(18)19-12/h2-5,7-8H,6H2,1H3,(H2,18,19,20).
What are the key properties of 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 317.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 164618782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).