2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C16H18N2O3 — CID 65408494

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCOc3ccccc32)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)13-15(19)17-14(18-16(13)20)11-7-8-21-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNPVARGRXPDKAOO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.51
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 65408494) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID65408494
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCOc3ccccc32)[nH]c1=O
InChIInChI=1S/C16H18N2O3/c1-9(2)13-15(19)17-14(18-16(13)20)11-7-8-21-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20)
InChIKeyNPVARGRXPDKAOO-UHFFFAOYSA-N
XLogP2.51
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
2-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65408688
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
3-(3,4-dihydro-2H-chromen-4-yl)-2H-1,2,4-oxadiazole-5-thione
CID 65405652
2-(2,3-dihydro-1H-inden-1-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407148
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
CID 65404715
5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
3-(1-chloroethyl)-5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazole
CID 102660966

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 65408494) is 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CCOc3ccccc32)[nH]c1=O.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is NPVARGRXPDKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)13-15(19)17-14(18-16(13)20)11-7-8-21-12-6-4-3-5-10(11)12/h3-6,9,11H,7-8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 286.33 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 65408494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).