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

C11H18N2O2 — CID 3063172

IUPAC5-butyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(CCC)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHEMAUQZFKUQMBB-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds5

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

5-butyl-6-propyl-1H-pyrimidine-2,4-dione (PubChem CID 3063172) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-butyl-6-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-6-propyl-1H-pyrimidine-2,4-dione
PubChem CID3063172
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-butyl-6-propyl-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(CCC)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H18N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15)
InChIKeyHEMAUQZFKUQMBB-UHFFFAOYSA-N
XLogP1.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5H,6H,7H-cyclopenta(d)pyrimidine-2,4-diol
CID 230742
5-Butyl-6-methyl-2-thiouracil
CID 2725680
5-(Heptafluoropropyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 2063410
5,6,7,8-Tetrahydroquinazoline-2,4(1H,3H)-dione
CID 471872
Uracil, 5-ethyl-6-methyl-
CID 202538
3-Tert-butyl-1,5,6,7-tetrahydro-cyclopentapyrimidine-2,4-dione
CID 854259
5,6,7,8,9,10-Hexahydrocycloocta[d]pyrimidine-2,4(1h,3h)-dione
CID 251461
3-hexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1915099
6-ethyl-5-tetradecyl-1H-pyrimidine-2,4-dione
CID 9884215
Uracil, 5-butyl-6-methyl-
CID 207254
Uracil, 6-methyl-5-propyl-
CID 3025420
5-Butyl-6-ethyl-2-thiouracil
CID 3062838

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-6-propyl-1H-pyrimidine-2,4-dione (CID 3063172) is 5-butyl-6-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-6-propyl-1H-pyrimidine-2,4-dione is CCCCc1c(CCC)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-butyl-6-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is HEMAUQZFKUQMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 5-butyl-6-propyl-1H-pyrimidine-2,4-dione?
5-butyl-6-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3063172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).