1H-pyrimidin-2-one;toluene

C11H12N2O — CID 174931017

IUPAC1H-pyrimidin-2-one;toluene
SMILESCc1ccccc1.O=c1nccc[nH]1
InChIInChI=1S/C7H8.C4H4N2O/c1-7-5-3-2-4-6-7;7-4-5-2-1-3-6-4/h2-6H,1H3;1-3H,(H,5,6,7)
InChIKeyZZGUINHMKBAAQV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.76
Rot. Bonds

About 1H-pyrimidin-2-one;toluene

1H-pyrimidin-2-one;toluene (PubChem CID 174931017) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1H-pyrimidin-2-one;toluene.

Molecular Properties

Compound Name1H-pyrimidin-2-one;toluene
PubChem CID174931017
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1H-pyrimidin-2-one;toluene
SMILESCc1ccccc1.O=c1nccc[nH]1
InChIInChI=1S/C7H8.C4H4N2O/c1-7-5-3-2-4-6-7;7-4-5-2-1-3-6-4/h2-6H,1H3;1-3H,(H,5,6,7)
InChIKeyZZGUINHMKBAAQV-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrimidin-2-one;hydrofluoride
CID 157323354
cyclohexane;1H-pyrimidin-2-one
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CID 174444847
1H-pyrimidin-2-one;1,2,3,4-tetrahydronaphthalene
CID 158350517
2-methylpyrimidine;toluene
CID 157227208
oxolane;1H-pyrimidin-2-one
CID 174461549
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CID 157408891
benzene;toluene
CID 158487474
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CID 101240530
titanium(2+);toluene
CID 22023820
1H-pyridin-4-one;toluene
CID 174261456
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CID 143164268

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidin-2-one;toluene?
The IUPAC name of 1H-pyrimidin-2-one;toluene (CID 174931017) is 1H-pyrimidin-2-one;toluene.
What is the SMILES notation for 1H-pyrimidin-2-one;toluene?
The canonical SMILES for 1H-pyrimidin-2-one;toluene is Cc1ccccc1.O=c1nccc[nH]1.
What is the InChIKey of 1H-pyrimidin-2-one;toluene?
The InChIKey is ZZGUINHMKBAAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H4N2O/c1-7-5-3-2-4-6-7;7-4-5-2-1-3-6-4/h2-6H,1H3;1-3H,(H,5,6,7).
What are the key properties of 1H-pyrimidin-2-one;toluene?
1H-pyrimidin-2-one;toluene has a molecular weight of 188.23 g/mol, XLogP of 1.76, 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;toluene is sourced from PubChem (CID 174931017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).