2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one

C14H16N2O2 — CID 135973576

IUPAC2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-10(2)15-13(16-14(9)17)8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyNMSXIKOUBGWSKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.99
Rot. Bonds3

About 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135973576) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135973576
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCOc1ccccc1Cc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C14H16N2O2/c1-9-10(2)15-13(16-14(9)17)8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16,17)
InChIKeyNMSXIKOUBGWSKA-UHFFFAOYSA-N
XLogP1.99
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 61263830
2-[(2-methoxyphenyl)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-6-ium-4-one
CID 135575576
2-[(2-methoxyphenyl)methyl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494244
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135994997
5-(3,4-dichlorophenyl)-2-[(2-methoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890227
3-hexan-3-yl-5-[(2-methoxyphenyl)methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 142238501
2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
5-(2-bromo-5-methylphenyl)-2-[(2-methoxyphenyl)methyl]-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890199
5-(4-ethylphenyl)-2-[(2-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890107
2-[(2-bromophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612612
4-chloro-2-[(2-methoxyphenyl)methyl]-1H-benzimidazole
CID 60979217
N-(2,4-dimethylphenyl)-2-[(2-methoxyphenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 28890117

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135973576) is 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one is COc1ccccc1Cc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NMSXIKOUBGWSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-10(2)15-13(16-14(9)17)8-11-6-4-5-7-12(11)18-3/h4-7H,8H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 244.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135973576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).