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

C12H18N2O2 — CID 694197

IUPAC3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)14-10(15)8-6-5-7-9(8)13-11(14)16/h4-7H2,1-3H3,(H,13,16)
InChIKeyREVGNUIMKCBNQX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.17
Rot. Bonds2

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

3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 694197) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID694197
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C12H18N2O2/c1-4-12(2,3)14-10(15)8-6-5-7-9(8)13-11(14)16/h4-7H2,1-3H3,(H,13,16)
InChIKeyREVGNUIMKCBNQX-UHFFFAOYSA-N
XLogP1.17
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.17
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
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
Uracil, 5-butyl-6-methyl-
CID 207254
Uracil, 5-butyl-6-ethyl-
CID 3062839
3-pentyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
CID 2055081
Uracil, 5-butyl-3,6-dimethyl-
CID 3021746
Uracil, 5-butyl-3-ethyl-6-methyl-
CID 3021772
5-Butyl-6-ethyl-3-methyluracil
CID 3021773
Uracil, 5-butyl-3-methyl-6-propyl-
CID 3021849
Uracil, 3,5-dibutyl-6-methyl-
CID 3021920

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 694197) is 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is CCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is REVGNUIMKCBNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-12(2,3)14-10(15)8-6-5-7-9(8)13-11(14)16/h4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutan-2-yl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 694197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).