1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine

C12H12FN3 — CID 62759131

IUPAC1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cncnc2)cc1
InChIInChI=1S/C12H12FN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2
InChIKeyRREGTVPGHIAXDM-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.91
Rot. Bonds4

About 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine

1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine (PubChem CID 62759131) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
PubChem CID62759131
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC Name1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
SMILESFc1ccc(CNCc2cncnc2)cc1
InChIInChI=1S/C12H12FN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2
InChIKeyRREGTVPGHIAXDM-UHFFFAOYSA-N
XLogP1.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760618
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-[(pyrimidin-5-ylmethylamino)methyl]phenol
CID 115607845
1-(4-fluorophenyl)-N-(isoquinolin-4-ylmethyl)methanamine
CID 115748158
1-(4-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846962
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-(4-ethynylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 141427580
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
4-[[(5-fluoro-3-pyridinyl)methylamino]methyl]benzaldehyde
CID 134293937
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 60962189
2-[(4-fluorophenyl)methylamino]ethanethiol
CID 83960596

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine (CID 62759131) is 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine is Fc1ccc(CNCc2cncnc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is RREGTVPGHIAXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-12-3-1-10(2-4-12)5-14-6-11-7-15-9-16-8-11/h1-4,7-9,14H,5-6H2.
What are the key properties of 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 217.25 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 62759131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).