5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine

C15H14FN5 — CID 97116929

IUPAC5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)cn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H14FN5/c1-11(20-15-18-8-13(16)9-19-15)12-2-4-14(5-3-12)21-7-6-17-10-21/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyDYZAEKRAWVDCHP-NSHDSACASA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds4

About 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine

5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 97116929) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
PubChem CID97116929
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine
SMILESC[C@H](Nc1ncc(F)cn1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H14FN5/c1-11(20-15-18-8-13(16)9-19-15)12-2-4-14(5-3-12)21-7-6-17-10-21/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1
InChIKeyDYZAEKRAWVDCHP-NSHDSACASA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]-4-imidazol-1-ylaniline
CID 97337942
N-[1-(4-imidazol-1-ylphenyl)ethyl]-1H-pyrazol-4-amine
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N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylpyridin-3-amine
CID 103932307
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
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1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine (CID 97116929) is 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine is C[C@H](Nc1ncc(F)cn1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is DYZAEKRAWVDCHP-NSHDSACASA-N. The full InChI is InChI=1S/C15H14FN5/c1-11(20-15-18-8-13(16)9-19-15)12-2-4-14(5-3-12)21-7-6-17-10-21/h2-11H,1H3,(H,18,19,20)/t11-/m0/s1.
What are the key properties of 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 283.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 97116929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).