1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane

C11H26N2O — CID 159215226

IUPAC1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane
SMILESC.CC.CC.CC1=NCCC(=O)N1C
InChIInChI=1S/C6H10N2O.2C2H6.CH4/c1-5-7-4-3-6(9)8(5)2;2*1-2;/h3-4H2,1-2H3;2*1-2H3;1H4
InChIKeyKQZCPBQSJWDOIW-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.96
Rot. Bonds

About 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane

1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane (PubChem CID 159215226) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane.

Molecular Properties

Compound Name1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane
PubChem CID159215226
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane
SMILESC.CC.CC.CC1=NCCC(=O)N1C
InChIInChI=1S/C6H10N2O.2C2H6.CH4/c1-5-7-4-3-6(9)8(5)2;2*1-2;/h3-4H2,1-2H3;2*1-2H3;1H4
InChIKeyKQZCPBQSJWDOIW-UHFFFAOYSA-N
XLogP2.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane?
The IUPAC name of 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane (CID 159215226) is 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane.
What is the SMILES notation for 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane?
The canonical SMILES for 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane is C.CC.CC.CC1=NCCC(=O)N1C.
What is the InChIKey of 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane?
The InChIKey is KQZCPBQSJWDOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.2C2H6.CH4/c1-5-7-4-3-6(9)8(5)2;2*1-2;/h3-4H2,1-2H3;2*1-2H3;1H4.
What are the key properties of 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane?
1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane has a molecular weight of 202.34 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4,5-dihydropyrimidin-6-one;ethane;methane is sourced from PubChem (CID 159215226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).