1,3-bis(3-methylbutyl)pyrimidine-2,4-dione

C14H24N2O2 — CID 142239865

IUPAC1,3-bis(3-methylbutyl)pyrimidine-2,4-dione
SMILESCC(C)CCn1ccc(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)5-8-15-9-7-13(17)16(14(15)18)10-6-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyWZPVKQLXCYOWSN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.10
Rot. Bonds6

About 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione

1,3-bis(3-methylbutyl)pyrimidine-2,4-dione (PubChem CID 142239865) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis(3-methylbutyl)pyrimidine-2,4-dione
PubChem CID142239865
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1,3-bis(3-methylbutyl)pyrimidine-2,4-dione
SMILESCC(C)CCn1ccc(=O)n(CCC(C)C)c1=O
InChIInChI=1S/C14H24N2O2/c1-11(2)5-8-15-9-7-13(17)16(14(15)18)10-6-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3
InChIKeyWZPVKQLXCYOWSN-UHFFFAOYSA-N
XLogP2.10
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione (CID 142239865) is 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione is CC(C)CCn1ccc(=O)n(CCC(C)C)c1=O.
What is the InChIKey of 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione?
The InChIKey is WZPVKQLXCYOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)5-8-15-9-7-13(17)16(14(15)18)10-6-12(3)4/h7,9,11-12H,5-6,8,10H2,1-4H3.
What are the key properties of 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione?
1,3-bis(3-methylbutyl)pyrimidine-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylbutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 142239865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).