[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate

C19H20N4O3 — CID 161238815

IUPAC[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
SMILESCOc1cc(Cc2nccc(COC(C)=O)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-23(12-21-13)17-5-4-15(8-18(17)25-3)9-19-20-7-6-16(22-19)11-26-14(2)24/h4-8,10,12H,9,11H2,1-3H3
InChIKeyUZSMTNQQKVUYEA-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.63
Rot. Bonds6

About [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate

[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate (PubChem CID 161238815) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
PubChem CID161238815
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate
SMILESCOc1cc(Cc2nccc(COC(C)=O)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H20N4O3/c1-13-10-23(12-21-13)17-5-4-15(8-18(17)25-3)9-19-20-7-6-16(22-19)11-26-14(2)24/h4-8,10,12H,9,11H2,1-3H3
InChIKeyUZSMTNQQKVUYEA-UHFFFAOYSA-N
XLogP2.63
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidine
CID 157117174
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4-[(3-chlorophenyl)methyl]-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methylpyrimidine
CID 146993141
2-[(4-chlorophenyl)methyl]-4-methoxy-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-1,3,5-triazine
CID 161459860
ethyl 2-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-5-phenylpyrimidin-4-yl]-2-phenylacetate
CID 159997126
2-[(3-fluorophenyl)methyl]-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridine
CID 161463309
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 68521034
8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 58375643
2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-7-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 58375669
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
(E)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]prop-2-enoic acid
CID 59528030

Frequently Asked Questions

What is the IUPAC name of [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate?
The IUPAC name of [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate (CID 161238815) is [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate.
What is the SMILES notation for [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate?
The canonical SMILES for [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate is COc1cc(Cc2nccc(COC(C)=O)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate?
The InChIKey is UZSMTNQQKVUYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13-10-23(12-21-13)17-5-4-15(8-18(17)25-3)9-19-20-7-6-16(22-19)11-26-14(2)24/h4-8,10,12H,9,11H2,1-3H3.
What are the key properties of [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate?
[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate has a molecular weight of 352.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-yl]methyl acetate is sourced from PubChem (CID 161238815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).