1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine

C14H16FN3 — CID 62757363

IUPAC1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C14H16FN3/c1-10(16)6-12-8-17-14(18-9-12)7-11-2-4-13(15)5-3-11/h2-5,8-10H,6-7,16H2,1H3
InChIKeyXSVBKOPDAGCKMA-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine

1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine (PubChem CID 62757363) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
PubChem CID62757363
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(Cc2ccc(F)cc2)nc1
InChIInChI=1S/C14H16FN3/c1-10(16)6-12-8-17-14(18-9-12)7-11-2-4-13(15)5-3-11/h2-5,8-10H,6-7,16H2,1H3
InChIKeyXSVBKOPDAGCKMA-UHFFFAOYSA-N
XLogP2.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
1-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 115091635
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
1-[2-[(2-bromophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62828650
2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
CID 114207196
1-[5-(4-fluorophenyl)-3-pyridinyl]propan-2-amine
CID 170891280
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80639619
1-[2-(2-methylpropoxy)pyrimidin-5-yl]propan-2-amine
CID 83884572
1-(6-ethenyl-3-pyridinyl)propan-2-amine
CID 74788784
1-[2-(4-fluoro-3-methylphenyl)pyrimidin-5-yl]propan-2-amine
CID 62757182
1-[2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-yl]propan-2-amine
CID 103503850
5-(2-aminopropyl)-N-butan-2-yl-N-methylpyridin-2-amine
CID 80633292

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine (CID 62757363) is 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(Cc2ccc(F)cc2)nc1.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
The InChIKey is XSVBKOPDAGCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-10(16)6-12-8-17-14(18-9-12)7-11-2-4-13(15)5-3-11/h2-5,8-10H,6-7,16H2,1H3.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine?
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine has a molecular weight of 245.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 62757363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).