4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C15H16N2O3 — CID 136770154

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2cccc3c2OCCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-19-9-13-16-12(8-14(18)17-13)11-6-2-4-10-5-3-7-20-15(10)11/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,17,18)
InChIKeyDFKYIRLHBMEYPO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.91
Rot. Bonds3

About 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136770154) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136770154
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(-c2cccc3c2OCCC3)cc(=O)[nH]1
InChIInChI=1S/C15H16N2O3/c1-19-9-13-16-12(8-14(18)17-13)11-6-2-4-10-5-3-7-20-15(10)11/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,17,18)
InChIKeyDFKYIRLHBMEYPO-UHFFFAOYSA-N
XLogP1.91
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
4-isoquinolin-8-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770401
4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
CID 114747162
4-bromo-6-(3,4-dihydro-2H-chromen-8-yl)-2-propan-2-ylpyrimidine
CID 114747193
4-(4-chloro-2-fluorophenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136955655
4-isoquinolin-4-yl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136692880
3-(2,3-dihydro-1-benzofuran-7-yl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157016449
6-(3,4-dihydro-2H-chromen-8-yl)pyridin-3-ol
CID 114747681
4-(2-methoxy-3,4-dimethylphenyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770565
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
CID 136770157
4-(3,4-dihydro-2H-chromen-8-yl)-N-methylpyrimidin-2-amine
CID 114747360
4-(3,4-dihydro-2H-chromen-8-yl)-6-methoxy-1,3,5-triazin-2-amine
CID 114747408

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136770154) is 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(-c2cccc3c2OCCC3)cc(=O)[nH]1.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DFKYIRLHBMEYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-9-13-16-12(8-14(18)17-13)11-6-2-4-10-5-3-7-20-15(10)11/h2,4,6,8H,3,5,7,9H2,1H3,(H,16,17,18).
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 272.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136770154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).