N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine

C14H12FN5 — CID 47406236

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESFc1cc(CNc2ncccn2)ccc1-n1ccnc1
InChIInChI=1S/C14H12FN5/c15-12-8-11(9-19-14-17-4-1-5-18-14)2-3-13(12)20-7-6-16-10-20/h1-8,10H,9H2,(H,17,18,19)
InChIKeyURSURUVSIXIWMV-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.41
Rot. Bonds4

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine (PubChem CID 47406236) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
PubChem CID47406236
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
SMILESFc1cc(CNc2ncccn2)ccc1-n1ccnc1
InChIInChI=1S/C14H12FN5/c15-12-8-11(9-19-14-17-4-1-5-18-14)2-3-13(12)20-7-6-16-10-20/h1-8,10H,9H2,(H,17,18,19)
InChIKeyURSURUVSIXIWMV-UHFFFAOYSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 47983158
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
1-[2-fluoro-4-[(pyrimidin-2-ylamino)methyl]phenyl]piperidin-4-ol
CID 56796904
3-ethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-nitroaniline
CID 133468719
2-[3-[[(3-fluoro-4-imidazol-1-ylphenyl)methylcarbamoylamino]methyl]phenoxy]acetamide
CID 136529496
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-methylbenzenesulfonamide
CID 47958616
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133274366
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 133284210

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine (CID 47406236) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine is Fc1cc(CNc2ncccn2)ccc1-n1ccnc1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine?
The InChIKey is URSURUVSIXIWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-12-8-11(9-19-14-17-4-1-5-18-14)2-3-13(12)20-7-6-16-10-20/h1-8,10H,9H2,(H,17,18,19).
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 47406236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).