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

C8H10N2O2 — CID 906060

IUPAC3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O2/c1-10-7(11)5-3-2-4-6(5)9-8(10)12/h2-4H2,1H3,(H,9,12)
InChIKeyMMOXURGGJPRIAR-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.44
Rot. Bonds

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

3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (PubChem CID 906060) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
PubChem CID906060
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2c(c1=O)CCC2
InChIInChI=1S/C8H10N2O2/c1-10-7(11)5-3-2-4-6(5)9-8(10)12/h2-4H2,1H3,(H,9,12)
InChIKeyMMOXURGGJPRIAR-UHFFFAOYSA-N
XLogP-0.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione (CID 906060) is 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c2c(c1=O)CCC2.
What is the InChIKey of 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
The InChIKey is MMOXURGGJPRIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10-7(11)5-3-2-4-6(5)9-8(10)12/h2-4H2,1H3,(H,9,12).
What are the key properties of 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione?
3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione has a molecular weight of 166.18 g/mol, XLogP of -0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-2,4-dione is sourced from PubChem (CID 906060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).