2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine

C16H12ClFN4 — CID 71204112

IUPAC2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccccc1CNc1ccnc(-c2cncc(Cl)c2)n1
InChIInChI=1S/C16H12ClFN4/c17-13-7-12(8-19-10-13)16-20-6-5-15(22-16)21-9-11-3-1-2-4-14(11)18/h1-8,10H,9H2,(H,20,21,22)
InChIKeyINBMTUBZHBQKDY-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.94
Rot. Bonds4

About 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine

2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 71204112) has the molecular formula C16H12ClFN4 and a molecular weight of 314.75 g/mol. Its IUPAC name is 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID71204112
Molecular FormulaC16H12ClFN4
Molecular Weight314.75 g/mol
Exact Mass314.07
IUPAC Name2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccccc1CNc1ccnc(-c2cncc(Cl)c2)n1
InChIInChI=1S/C16H12ClFN4/c17-13-7-12(8-19-10-13)16-20-6-5-15(22-16)21-9-11-3-1-2-4-14(11)18/h1-8,10H,9H2,(H,20,21,22)
InChIKeyINBMTUBZHBQKDY-UHFFFAOYSA-N
XLogP3.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine (CID 71204112) is 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine is Fc1ccccc1CNc1ccnc(-c2cncc(Cl)c2)n1.
What is the InChIKey of 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is INBMTUBZHBQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4/c17-13-7-12(8-19-10-13)16-20-6-5-15(22-16)21-9-11-3-1-2-4-14(11)18/h1-8,10H,9H2,(H,20,21,22).
What are the key properties of 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine?
2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 314.75 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-pyridinyl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 71204112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).