1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene

C14H16N2O — CID 158350517

IUPAC1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
SMILESO=c1nccc[nH]1.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C4H4N2O/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-5-2-1-3-6-4/h1-2,5-6H,3-4,7-8H2;1-3H,(H,5,6,7)
InChIKeyGSGGXHREXIFPQK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.34
Rot. Bonds

About 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene

1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene (PubChem CID 158350517) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
PubChem CID158350517
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
SMILESO=c1nccc[nH]1.c1ccc2c(c1)CCCC2
InChIInChI=1S/C10H12.C4H4N2O/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-5-2-1-3-6-4/h1-2,5-6H,3-4,7-8H2;1-3H,(H,5,6,7)
InChIKeyGSGGXHREXIFPQK-UHFFFAOYSA-N
XLogP2.34
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene (CID 158350517) is 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene is O=c1nccc[nH]1.c1ccc2c(c1)CCCC2.
What is the InChIKey of 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene?
The InChIKey is GSGGXHREXIFPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C4H4N2O/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-5-2-1-3-6-4/h1-2,5-6H,3-4,7-8H2;1-3H,(H,5,6,7).
What are the key properties of 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene?
1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene has a molecular weight of 228.30 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158350517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).