2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one

C17H18N2O2 — CID 136770157

IUPAC2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc3c2OCCC3)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H18N2O2/c1-10-14(18-16(12-7-8-12)19-17(10)20)13-6-2-4-11-5-3-9-21-15(11)13/h2,4,6,12H,3,5,7-9H2,1H3,(H,18,19,20)
InChIKeyLEVZVNYAQZHZNR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.95
Rot. Bonds2

About 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 136770157) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
PubChem CID136770157
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(-c2cccc3c2OCCC3)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C17H18N2O2/c1-10-14(18-16(12-7-8-12)19-17(10)20)13-6-2-4-11-5-3-9-21-15(11)13/h2,4,6,12H,3,5,7-9H2,1H3,(H,18,19,20)
InChIKeyLEVZVNYAQZHZNR-UHFFFAOYSA-N
XLogP2.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 114747414
2-cyclopropyl-4-(3-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692169
2-cyclopropyl-4-(2,4-dichlorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 136692866
4-(4-cyclobutylphenyl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770175
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
CID 136692901
4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
CID 114747162
3-(3,4-dihydro-2H-chromen-8-yl)-2-methylpyridine;methanamine
CID 165409090
4-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-5-methyl-1H-pyrimidin-6-one
CID 136770228
3-(2-cyclopropyl-5-methyl-6-oxo-1H-pyrimidin-4-yl)benzonitrile
CID 136691905
4-(3,4-dihydro-2H-chromen-8-yl)-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136770154
2-cyclopropyl-4-[4-(dimethylamino)phenyl]-5-methyl-1H-pyrimidin-6-one
CID 136691781
4-(2,3-dihydro-1-benzofuran-7-yl)-2H-phthalazin-1-one
CID 106522410

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one (CID 136770157) is 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one is Cc1c(-c2cccc3c2OCCC3)nc(C2CC2)[nH]c1=O.
What is the InChIKey of 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LEVZVNYAQZHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-10-14(18-16(12-7-8-12)19-17(10)20)13-6-2-4-11-5-3-9-21-15(11)13/h2,4,6,12H,3,5,7-9H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 282.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-dihydro-2H-chromen-8-yl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136770157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).