1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone

C16H16N2O2 — CID 116895365

IUPAC1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C16H16N2O2/c1-10-8-14(18-16(17-10)11(2)19)12-5-6-15-13(9-12)4-3-7-20-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWDGIFSYODYHPPR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.98
Rot. Bonds2

About 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone

1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone (PubChem CID 116895365) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
PubChem CID116895365
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
SMILESCC(=O)c1nc(C)cc(-c2ccc3c(c2)CCCO3)n1
InChIInChI=1S/C16H16N2O2/c1-10-8-14(18-16(17-10)11(2)19)12-5-6-15-13(9-12)4-3-7-20-15/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyWDGIFSYODYHPPR-UHFFFAOYSA-N
XLogP2.98
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910642
1-[2-(3,4-dihydro-2H-chromen-6-yl)phenyl]ethanone
CID 54910597
2-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)-6-methylpyrimidine
CID 104544715
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
2-(3,4-dihydro-2H-chromen-6-yl)-4-methyl-1,3-thiazole
CID 116891920
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-amine
CID 6504218
[4-(3,4-dihydro-2H-chromen-6-yl)-1,3-thiazol-2-yl]methanol
CID 116867444
4-(3,4-dihydro-2H-chromen-6-yl)-2-methoxypyrimidine
CID 116903796
4-(3,4-dihydro-2H-chromen-6-yl)-5-methyl-1,3-oxazol-2-amine
CID 116831842
4-(3,4-dihydro-2H-chromen-6-yl)-1H-imidazole-5-carboxylic acid
CID 82478349
2-chloro-5-(3,4-dihydro-2H-chromen-6-yl)benzoic acid
CID 61026274

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone (CID 116895365) is 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone is CC(=O)c1nc(C)cc(-c2ccc3c(c2)CCCO3)n1.
What is the InChIKey of 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone?
The InChIKey is WDGIFSYODYHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-10-8-14(18-16(17-10)11(2)19)12-5-6-15-13(9-12)4-3-7-20-15/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone?
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone has a molecular weight of 268.32 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone is sourced from PubChem (CID 116895365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).