3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

C11H12N4O3 — CID 165179303

IUPAC3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)[nH]1)c(=O)n(C1CC1)c(=O)n2C
InChIInChI=1S/C11H12N4O3/c1-5-12-8-7(9(16)13-5)10(17)15(6-3-4-6)11(18)14(8)2/h6H,3-4H2,1-2H3,(H,12,13,16)
InChIKeyPSEFCOFHFWGKJT-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.57
Rot. Bonds1

About 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione

3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (PubChem CID 165179303) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.

Molecular Properties

Compound Name3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
PubChem CID165179303
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione
SMILESCc1nc2c(c(=O)[nH]1)c(=O)n(C1CC1)c(=O)n2C
InChIInChI=1S/C11H12N4O3/c1-5-12-8-7(9(16)13-5)10(17)15(6-3-4-6)11(18)14(8)2/h6H,3-4H2,1-2H3,(H,12,13,16)
InChIKeyPSEFCOFHFWGKJT-UHFFFAOYSA-N
XLogP-0.57
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The IUPAC name of 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione (CID 165179303) is 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione.
What is the SMILES notation for 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The canonical SMILES for 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is Cc1nc2c(c(=O)[nH]1)c(=O)n(C1CC1)c(=O)n2C.
What is the InChIKey of 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
The InChIKey is PSEFCOFHFWGKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-5-12-8-7(9(16)13-5)10(17)15(6-3-4-6)11(18)14(8)2/h6H,3-4H2,1-2H3,(H,12,13,16).
What are the key properties of 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione?
3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione has a molecular weight of 248.24 g/mol, XLogP of -0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1,7-dimethyl-6H-pyrimido[4,5-d]pyrimidine-2,4,5-trione is sourced from PubChem (CID 165179303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).