3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

C11H16N2O2 — CID 3303025

IUPAC3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-7(2)13-10(14)8-5-4-6-9(8)12-11(13)15/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyJCJBBPIULWQEJF-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.00
Rot. Bonds2

About 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione

3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 3303025) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID3303025
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCC(C)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C11H16N2O2/c1-3-7(2)13-10(14)8-5-4-6-9(8)12-11(13)15/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeyJCJBBPIULWQEJF-UHFFFAOYSA-N
XLogP1.00
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lenacil
CID 16559
5H,6H,7H-cyclopenta(d)pyrimidine-2,4-diol
CID 230742
5-Oxolenacil
CID 53396340
A 3-(4-Oxocyclohexyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
CID 139597054
3-Tert-butyl-1,5,6,7-tetrahydro-cyclopentapyrimidine-2,4-dione
CID 854259
3-hexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 1915099
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-3-cyclohexyl-1-methyl-
CID 206370
1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-1,3-dimethyl-
CID 206369
3-(tert-pentyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 694197
3-pentyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 2055081
1H-Cyclopentapyrimidine-1-acetamide, 2,3,4,5,6,7-hexahydro-3-cyclohexyl-2,4-dioxo-
CID 206373
1H-Cyclopentapyrimidine-1-acetamide, 2,3,4,5,6,7-hexahydro-2,4-dioxo-N,N,3-trimethyl-
CID 206375

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 3303025) is 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is CCC(C)n1c(=O)[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is JCJBBPIULWQEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-7(2)13-10(14)8-5-4-6-9(8)12-11(13)15/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 3303025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).