5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione

C11H18N2O2 — CID 154440442

IUPAC5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCC(CC)(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-11(5-2,6-3)8-7-12-10(15)13-9(8)14/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyBIHYUIHDMSGQCF-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds4

About 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione

5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 154440442) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID154440442
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCC(CC)(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-4-11(5-2,6-3)8-7-12-10(15)13-9(8)14/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyBIHYUIHDMSGQCF-UHFFFAOYSA-N
XLogP1.53
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione (CID 154440442) is 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione is CCC(CC)(CC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is BIHYUIHDMSGQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-11(5-2,6-3)8-7-12-10(15)13-9(8)14/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione?
5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpentan-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 154440442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).