5-pentan-2-yl-1H-pyrimidine-2,4-dione

C9H14N2O2 — CID 130471050

IUPAC5-pentan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCCC(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-6(2)7-5-10-9(13)11-8(7)12/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeySOSILLBLWBCSAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.97
Rot. Bonds3

About 5-pentan-2-yl-1H-pyrimidine-2,4-dione

5-pentan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 130471050) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-pentan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-pentan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID130471050
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-pentan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCCC(C)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O2/c1-3-4-6(2)7-5-10-9(13)11-8(7)12/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeySOSILLBLWBCSAX-UHFFFAOYSA-N
XLogP0.97
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-Isopropyluracil
CID 98575
5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
5-Cyclopropyluracil
CID 6991953
Uracil, 5-hexyl-
CID 147281
5-sec-Butyluracil
CID 587021
5-Cyclobutylpyrimidine-2,4(1H,3H)-dione
CID 12512060
5-Butyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 13897053
5-(Aminopropyl) uracil
CID 18970231
5-Decyluracil
CID 129781662
5-(4-methylpentyl)-1H-pyrimidine-2,4-dione
CID 289977

Frequently Asked Questions

What is the IUPAC name of 5-pentan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-pentan-2-yl-1H-pyrimidine-2,4-dione (CID 130471050) is 5-pentan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-pentan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-pentan-2-yl-1H-pyrimidine-2,4-dione is CCCC(C)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-pentan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is SOSILLBLWBCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-4-6(2)7-5-10-9(13)11-8(7)12/h5-6H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-pentan-2-yl-1H-pyrimidine-2,4-dione?
5-pentan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 130471050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).