6-nonan-3-yl-1H-pyrimidine-2,4-dione

C13H22N2O2 — CID 134171693

IUPAC6-nonan-3-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CC)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H22N2O2/c1-3-5-6-7-8-10(4-2)11-9-12(16)15-13(17)14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyWDWPOBBFCGTOEG-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.53
Rot. Bonds7

About 6-nonan-3-yl-1H-pyrimidine-2,4-dione

6-nonan-3-yl-1H-pyrimidine-2,4-dione (PubChem CID 134171693) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-nonan-3-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-nonan-3-yl-1H-pyrimidine-2,4-dione
PubChem CID134171693
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name6-nonan-3-yl-1H-pyrimidine-2,4-dione
SMILESCCCCCCC(CC)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H22N2O2/c1-3-5-6-7-8-10(4-2)11-9-12(16)15-13(17)14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyWDWPOBBFCGTOEG-UHFFFAOYSA-N
XLogP2.53
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.53
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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Related Compounds

2-nonan-3-yl-1H-pyrrole
CID 139299557
2-amino-4-heptan-3-yl-1H-pyrimidin-6-one
CID 135752510
6-(nonylamino)-1H-pyrimidine-2,4-dione
CID 146025741
5-nonan-3-yl-1H-imidazole
CID 155076171
5-tridecan-7-yl-1H-pyrimidine-2,4-dione
CID 170289085
5-undecan-5-yl-1H-pyrimidine-2,4-dione
CID 167307336
5-octan-3-yl-1H-imidazole
CID 57097336
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
5-bromo-6-(1-hydroxyhexyl)-1,3-dihydrobenzimidazol-2-one
CID 55068890
hexyl 2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 70521246
5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447855
5-dodecan-5-yl-1H-pyridin-2-one
CID 155069588

Frequently Asked Questions

What is the IUPAC name of 6-nonan-3-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-nonan-3-yl-1H-pyrimidine-2,4-dione (CID 134171693) is 6-nonan-3-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-nonan-3-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-nonan-3-yl-1H-pyrimidine-2,4-dione is CCCCCCC(CC)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-nonan-3-yl-1H-pyrimidine-2,4-dione?
The InChIKey is WDWPOBBFCGTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-6-7-8-10(4-2)11-9-12(16)15-13(17)14-11/h9-10H,3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-nonan-3-yl-1H-pyrimidine-2,4-dione?
6-nonan-3-yl-1H-pyrimidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nonan-3-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134171693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).