2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C15H16N2O3 — CID 64509038

IUPAC2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cccc3c2OC(C)(C)C3)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-8-13(18)16-12(17-14(8)19)10-6-4-5-9-7-15(2,3)20-11(9)10/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyYQVWTJRLTCPNJD-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.16
Rot. Bonds1

About 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 64509038) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID64509038
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(-c2cccc3c2OC(C)(C)C3)[nH]c1=O
InChIInChI=1S/C15H16N2O3/c1-8-13(18)16-12(17-14(8)19)10-6-4-5-9-7-15(2,3)20-11(9)10/h4-6H,7H2,1-3H3,(H2,16,17,18,19)
InChIKeyYQVWTJRLTCPNJD-UHFFFAOYSA-N
XLogP2.16
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-pyrimidin-6-one
CID 66313164
[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-imidazol-5-yl]methanol
CID 64508144
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylimidazole-1,5-diamine
CID 64507252
4-(chloromethyl)-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazole
CID 64506573
4,6-dichloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-iodopyrimidine
CID 66311639
4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethyl-5-methylpyrimidine
CID 64506792
N-[[2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 64507015
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-indole-2-carboxamide
CID 167777712
6-(2,2-dimethyl-3H-1-benzofuran-7-yl)-5-methylquinazoline-2,4-diamine
CID 56698151
5-bromo-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-4-amine
CID 66296826
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)pyrimidin-5-amine
CID 64506787
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)imidazole-1,5-diamine
CID 64507030

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 64509038) is 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1c(O)nc(-c2cccc3c2OC(C)(C)C3)[nH]c1=O.
What is the InChIKey of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YQVWTJRLTCPNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-13(18)16-12(17-14(8)19)10-6-4-5-9-7-15(2,3)20-11(9)10/h4-6H,7H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 272.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 64509038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).