2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one

C14H14N2O — CID 65406952

IUPAC2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C14H14N2O/c17-13-7-8-15-14(16-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2,(H,15,16,17)
InChIKeyQIVBVKRUJLHZNM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.04
Rot. Bonds1

About 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one

2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one (PubChem CID 65406952) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
PubChem CID65406952
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCc3ccccc3C2)[nH]1
InChIInChI=1S/C14H14N2O/c17-13-7-8-15-14(16-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2,(H,15,16,17)
InChIKeyQIVBVKRUJLHZNM-UHFFFAOYSA-N
XLogP2.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrimidine
CID 68856082
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazole
CID 11448029
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-imidazol-5-yl]methanamine
CID 65404488
2-(azepan-4-yl)-1H-pyrimidin-6-one
CID 84664930
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-3H-benzimidazol-5-ol
CID 107126998
2-piperidin-4-yl-6-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine
CID 162737704
6-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478570
2-(3-ethylcyclopentyl)-1H-pyrimidin-6-one
CID 65407142
4-chloro-2-cyclopropylpyrimidine;2-cyclopropyl-1H-pyrimidin-6-one
CID 87566916
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481775
6-ethyl-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidine-4-thione
CID 106478316

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one (CID 65406952) is 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one is O=c1ccnc(C2CCc3ccccc3C2)[nH]1.
What is the InChIKey of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QIVBVKRUJLHZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-13-7-8-15-14(16-13)12-6-5-10-3-1-2-4-11(10)9-12/h1-4,7-8,12H,5-6,9H2,(H,15,16,17).
What are the key properties of 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one?
2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 65406952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).