1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

C11H16N4O2 — CID 3048966

IUPAC1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESC=CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H16N4O2/c1-4-5-15-6-8-9(12-7-15)13(2)11(17)14(3)10(8)16/h4,12H,1,5-7H2,2-3H3
InChIKeyOYXMLLMDRSCTIZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.55
Rot. Bonds2

About 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 3048966) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID3048966
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESC=CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C11H16N4O2/c1-4-5-15-6-8-9(12-7-15)13(2)11(17)14(3)10(8)16/h4,12H,1,5-7H2,2-3H3
InChIKeyOYXMLLMDRSCTIZ-UHFFFAOYSA-N
XLogP-0.55
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 3048966) is 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is C=CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is OYXMLLMDRSCTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-4-5-15-6-8-9(12-7-15)13(2)11(17)14(3)10(8)16/h4,12H,1,5-7H2,2-3H3.
What are the key properties of 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 236.27 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3048966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).