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

C10H16N4O2 — CID 3048965

IUPAC6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C10H16N4O2/c1-4-14-5-7-8(11-6-14)12(2)10(16)13(3)9(7)15/h11H,4-6H2,1-3H3
InChIKeySIWBKKAOHLDGOG-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.71
Rot. Bonds1

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

6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (PubChem CID 3048965) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
PubChem CID3048965
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
SMILESCCN1CNc2c(c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C10H16N4O2/c1-4-14-5-7-8(11-6-14)12(2)10(16)13(3)9(7)15/h11H,4-6H2,1-3H3
InChIKeySIWBKKAOHLDGOG-UHFFFAOYSA-N
XLogP-0.71
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The IUPAC name of 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione (CID 3048965) is 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is CCN1CNc2c(c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
The InChIKey is SIWBKKAOHLDGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-14-5-7-8(11-6-14)12(2)10(16)13(3)9(7)15/h11H,4-6H2,1-3H3.
What are the key properties of 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione?
6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,3-dimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione is sourced from PubChem (CID 3048965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).