2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine

C14H16FN3 — CID 114207196

IUPAC2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1nc(Cc2ccc(F)cc2)ncc1N
InChIInChI=1S/C14H16FN3/c1-9(2)14-12(16)8-17-13(18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3
InChIKeyQIFRLCJSZALOJR-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.91
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine

2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine (PubChem CID 114207196) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
PubChem CID114207196
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
SMILESCC(C)c1nc(Cc2ccc(F)cc2)ncc1N
InChIInChI=1S/C14H16FN3/c1-9(2)14-12(16)8-17-13(18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3
InChIKeyQIFRLCJSZALOJR-UHFFFAOYSA-N
XLogP2.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine (CID 114207196) is 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine is CC(C)c1nc(Cc2ccc(F)cc2)ncc1N.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine?
The InChIKey is QIFRLCJSZALOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-9(2)14-12(16)8-17-13(18-14)7-10-3-5-11(15)6-4-10/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine?
2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine has a molecular weight of 245.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 114207196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).