5-pentyl-2-propyl-1H-pyrimidine-4,6-dione

C12H20N2O2 — CID 121011194

IUPAC5-pentyl-2-propyl-1H-pyrimidine-4,6-dione
SMILESCCCCCC1C(=O)N=C(CCC)NC1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-6-8-9-11(15)13-10(7-4-2)14-12(9)16/h9H,3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyNYHRCZBFHJQKBE-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.04
Rot. Bonds6

About 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione

5-pentyl-2-propyl-1H-pyrimidine-4,6-dione (PubChem CID 121011194) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-pentyl-2-propyl-1H-pyrimidine-4,6-dione
PubChem CID121011194
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-pentyl-2-propyl-1H-pyrimidine-4,6-dione
SMILESCCCCCC1C(=O)N=C(CCC)NC1=O
InChIInChI=1S/C12H20N2O2/c1-3-5-6-8-9-11(15)13-10(7-4-2)14-12(9)16/h9H,3-8H2,1-2H3,(H,13,14,15,16)
InChIKeyNYHRCZBFHJQKBE-UHFFFAOYSA-N
XLogP2.04
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 66970234
CID 66970234
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CID 129460344
2-(2-aminopropyl)-5-ethyl-1H-pyrimidine-4,6-dione
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3-hexyl-1,3-dihydroindol-2-one
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CID 106952933
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CID 141093259
4-pentyl-2,4-dihydro-1H-isoquinolin-3-one
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3-nonyloxetane-2,4-dione
CID 87532887
3-[4-(didodecylamino)butyl]-6-[4-[dodecyl(methyl)amino]butyl]piperazine-2,5-dione
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5-fluoro-3-nonyl-1,3-dihydroindol-2-one
CID 106987039

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione (CID 121011194) is 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione is CCCCCC1C(=O)N=C(CCC)NC1=O.
What is the InChIKey of 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione?
The InChIKey is NYHRCZBFHJQKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-5-6-8-9-11(15)13-10(7-4-2)14-12(9)16/h9H,3-8H2,1-2H3,(H,13,14,15,16).
What are the key properties of 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione?
5-pentyl-2-propyl-1H-pyrimidine-4,6-dione has a molecular weight of 224.30 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-propyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 121011194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).