5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one

C11H11N3O2 — CID 115114394

IUPAC5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one
SMILESNc1cn(Cc2cccc(O)c2)cnc1=O
InChIInChI=1S/C11H11N3O2/c12-10-6-14(7-13-11(10)16)5-8-2-1-3-9(15)4-8/h1-4,6-7,15H,5,12H2
InChIKeyZKUMBEBUKVSPOW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.58
Rot. Bonds2

About 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one

5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one (PubChem CID 115114394) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one
PubChem CID115114394
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one
SMILESNc1cn(Cc2cccc(O)c2)cnc1=O
InChIInChI=1S/C11H11N3O2/c12-10-6-14(7-13-11(10)16)5-8-2-1-3-9(15)4-8/h1-4,6-7,15H,5,12H2
InChIKeyZKUMBEBUKVSPOW-UHFFFAOYSA-N
XLogP0.58
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-[(3-fluorophenyl)methyl]pyrimidin-4-one
CID 115114391
methyl 4-amino-1-[(3-hydroxyphenyl)methyl]pyrazole-3-carboxylate
CID 107344709
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
2-amino-3-[(3-hydroxyphenyl)methyl]-5,5-diphenylimidazol-4-one
CID 145460426
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-amine
CID 129205660
3-[(4-aminoimidazo[4,5-c]pyridin-1-yl)methyl]phenol;hydrochloride
CID 139728153
3-[(4-amino-3,5-diethylpyrazol-1-yl)methyl]phenol
CID 82702929
(4R)-4-amino-1-[(3-hydroxyphenyl)methyl]pyrrolidin-2-one
CID 59905935
3-(pyrazol-1-ylmethyl)phenol
CID 24745197
3-[[5-amino-4-(aminomethyl)pyrazol-1-yl]methyl]phenol
CID 115069565
1-[(3-hydroxyphenyl)methyl]-2H-indazol-3-one
CID 70933361
4-amino-1-benzylpyrrol-3-ol
CID 135156619

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one (CID 115114394) is 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one is Nc1cn(Cc2cccc(O)c2)cnc1=O.
What is the InChIKey of 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one?
The InChIKey is ZKUMBEBUKVSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-6-14(7-13-11(10)16)5-8-2-1-3-9(15)4-8/h1-4,6-7,15H,5,12H2.
What are the key properties of 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one?
5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one has a molecular weight of 217.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-hydroxyphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 115114394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).