4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine

C17H14ClFN4 — CID 86659381

IUPAC4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)cc(-c2cccnc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4/c1-11(12-4-6-14(19)7-5-12)21-17-22-15(9-16(18)23-17)13-3-2-8-20-10-13/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyYZJYPWATUXQWOL-NSHDSACASA-N
MW328.78 g/mol
LogP4.50
Rot. Bonds4

About 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine

4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine (PubChem CID 86659381) has the molecular formula C17H14ClFN4 and a molecular weight of 328.78 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine
PubChem CID86659381
Molecular FormulaC17H14ClFN4
Molecular Weight328.78 g/mol
Exact Mass328.09
IUPAC Name4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine
SMILESC[C@H](Nc1nc(Cl)cc(-c2cccnc2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN4/c1-11(12-4-6-14(19)7-5-12)21-17-22-15(9-16(18)23-17)13-3-2-8-20-10-13/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1
InChIKeyYZJYPWATUXQWOL-NSHDSACASA-N
XLogP4.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine (CID 86659381) is 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine is C[C@H](Nc1nc(Cl)cc(-c2cccnc2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is YZJYPWATUXQWOL-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClFN4/c1-11(12-4-6-14(19)7-5-12)21-17-22-15(9-16(18)23-17)13-3-2-8-20-10-13/h2-11H,1H3,(H,21,22,23)/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine?
4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 328.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-6-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 86659381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).