ethane;6-methyl-1H-pyrimidin-2-one

C9H18N2O — CID 91378693

IUPACethane;6-methyl-1H-pyrimidin-2-one
SMILESCC.CC.Cc1ccnc(=O)[nH]1
InChIInChI=1S/C5H6N2O.2C2H6/c1-4-2-3-6-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);2*1-2H3
InChIKeyVNIAVHWLKKDJSP-UHFFFAOYSA-N
MW170.26 g/mol
LogP2.13
Rot. Bonds

About ethane;6-methyl-1H-pyrimidin-2-one

ethane;6-methyl-1H-pyrimidin-2-one (PubChem CID 91378693) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;6-methyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;6-methyl-1H-pyrimidin-2-one
PubChem CID91378693
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Nameethane;6-methyl-1H-pyrimidin-2-one
SMILESCC.CC.Cc1ccnc(=O)[nH]1
InChIInChI=1S/C5H6N2O.2C2H6/c1-4-2-3-6-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);2*1-2H3
InChIKeyVNIAVHWLKKDJSP-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-methylprop-2-enoate;6-methyl-1H-pyrimidin-2-one
CID 175843708
6-amino-(213C,1,3-15N2)1H-pyrimidin-2-one
CID 71315153
6-(3,4,5-trimethylphenyl)-1H-pyrimidin-2-one
CID 123297438
6-(methylamino)-1H-pyrimidin-2-one;hydrochloride
CID 21490026
6-[bis(trimethylsilyl)amino]-1H-pyrimidin-2-one
CID 19363548
CID 175849131
CID 175849131
6-[hydroxy(methyl)amino]-1H-pyrimidin-2-one
CID 87601665
6-(4-methyl-3-pyridinyl)-1H-pyrimidin-2-one
CID 106518941
6-(ethylideneamino)-1H-pyrimidin-2-one
CID 90760738
6-(2-trimethylsilylethynyl)-1H-pyrimidin-2-one
CID 22619750
6-(2-fluoro-5-methylphenyl)-1H-pyrimidin-2-one
CID 106514209
6-amino-5-methyl-1H-pyrimidin-2-one;6-amino-1H-pyrimidin-2-one;hydrate
CID 175300459

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-1H-pyrimidin-2-one?
The IUPAC name of ethane;6-methyl-1H-pyrimidin-2-one (CID 91378693) is ethane;6-methyl-1H-pyrimidin-2-one.
What is the SMILES notation for ethane;6-methyl-1H-pyrimidin-2-one?
The canonical SMILES for ethane;6-methyl-1H-pyrimidin-2-one is CC.CC.Cc1ccnc(=O)[nH]1.
What is the InChIKey of ethane;6-methyl-1H-pyrimidin-2-one?
The InChIKey is VNIAVHWLKKDJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.2C2H6/c1-4-2-3-6-5(8)7-4;2*1-2/h2-3H,1H3,(H,6,7,8);2*1-2H3.
What are the key properties of ethane;6-methyl-1H-pyrimidin-2-one?
ethane;6-methyl-1H-pyrimidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-1H-pyrimidin-2-one is sourced from PubChem (CID 91378693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).