1-(3-methylheptan-3-yl)pyrimidine-2,4-dione

C12H20N2O2 — CID 155076670

IUPAC1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
SMILESCCCCC(C)(CC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-4-6-8-12(3,5-2)14-9-7-10(15)13-11(14)16/h7,9H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyFPEOVDHABBMCJB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.85
Rot. Bonds5

About 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione

1-(3-methylheptan-3-yl)pyrimidine-2,4-dione (PubChem CID 155076670) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
PubChem CID155076670
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(3-methylheptan-3-yl)pyrimidine-2,4-dione
SMILESCCCCC(C)(CC)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O2/c1-4-6-8-12(3,5-2)14-9-7-10(15)13-11(14)16/h7,9H,4-6,8H2,1-3H3,(H,13,15,16)
InChIKeyFPEOVDHABBMCJB-UHFFFAOYSA-N
XLogP1.85
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione (CID 155076670) is 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione is CCCCC(C)(CC)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
The InChIKey is FPEOVDHABBMCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-6-8-12(3,5-2)14-9-7-10(15)13-11(14)16/h7,9H,4-6,8H2,1-3H3,(H,13,15,16).
What are the key properties of 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione?
1-(3-methylheptan-3-yl)pyrimidine-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylheptan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 155076670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).