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

C14H24N2O2 — CID 129082314

IUPAC5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O2/c1-4-6-7-8-9-14(3,5-2)11-10-15-13(18)16-12(11)17/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMUEHHGHNQPOEFS-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.70
Rot. Bonds7

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

5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione (PubChem CID 129082314) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione
PubChem CID129082314
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(C)(CC)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O2/c1-4-6-7-8-9-14(3,5-2)11-10-15-13(18)16-12(11)17/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyMUEHHGHNQPOEFS-UHFFFAOYSA-N
XLogP2.70
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione (CID 129082314) is 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione is CCCCCCC(C)(CC)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is MUEHHGHNQPOEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-6-7-8-9-14(3,5-2)11-10-15-13(18)16-12(11)17/h10H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione?
5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 252.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylnonan-3-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129082314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).