5-decyl-2,4-dimethyl-1H-pyrimidin-6-one

C16H28N2O — CID 135509307

IUPAC5-decyl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-15-13(2)17-14(3)18-16(15)19/h4-12H2,1-3H3,(H,17,18,19)
InChIKeyNSWAMROVEOOFGX-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.07
Rot. Bonds9

About 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one

5-decyl-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 135509307) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-decyl-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID135509307
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-decyl-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCCCCCCCCCCc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-15-13(2)17-14(3)18-16(15)19/h4-12H2,1-3H3,(H,17,18,19)
InChIKeyNSWAMROVEOOFGX-UHFFFAOYSA-N
XLogP4.07
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-decyl-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one (CID 135509307) is 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one is CCCCCCCCCCc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is NSWAMROVEOOFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-4-5-6-7-8-9-10-11-12-15-13(2)17-14(3)18-16(15)19/h4-12H2,1-3H3,(H,17,18,19).
What are the key properties of 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one?
5-decyl-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 264.41 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decyl-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135509307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).