2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine

C15H17FN4O — CID 82250230

IUPAC2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCn1ccnc1COc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C15H17FN4O/c1-20-9-8-17-13(20)10-21-12-5-2-4-11(16)14(12)15-18-6-3-7-19-15/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,19)
InChIKeyNYROGBHYSDGJHT-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.88
Rot. Bonds4

About 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 82250230) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID82250230
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCn1ccnc1COc1cccc(F)c1C1=NCCCN1
InChIInChI=1S/C15H17FN4O/c1-20-9-8-17-13(20)10-21-12-5-2-4-11(16)14(12)15-18-6-3-7-19-15/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,19)
InChIKeyNYROGBHYSDGJHT-UHFFFAOYSA-N
XLogP1.88
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82239954
2-[3-fluoro-2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N,N-dimethylacetamide
CID 82248895
2-[2-fluoro-6-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82244851
2-[(2-tert-butyl-3-fluorophenoxy)methyl]-1-methylimidazole
CID 122606420
2-[2-fluoro-6-(5-methyl-2-propan-2-ylphenoxy)phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240269
1-methyl-4-[2-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[4-[[2-fluoro-3-[[2-methoxy-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]methyl]phenyl]methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine;dihydrochloride
CID 162469308
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252898
2-chloro-6-[(1-methylimidazol-2-yl)methoxy]benzaldehyde
CID 60791778
(1S)-1-[3-fluoro-4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanol
CID 113389690
5-fluoro-2-[(1-methylimidazol-2-yl)methoxy]benzoic acid
CID 71741821

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 82250230) is 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is Cn1ccnc1COc1cccc(F)c1C1=NCCCN1.
What is the InChIKey of 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is NYROGBHYSDGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-20-9-8-17-13(20)10-21-12-5-2-4-11(16)14(12)15-18-6-3-7-19-15/h2,4-5,8-9H,3,6-7,10H2,1H3,(H,18,19).
What are the key properties of 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 288.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-[(1-methylimidazol-2-yl)methoxy]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 82250230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).