4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione

C8H14N4O2 — CID 574043

IUPAC4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)NC2NC(=O)NC(C)C12
InChIInChI=1S/C8H14N4O2/c1-3-5-4(2)10-8(14)12-6(5)11-7(13)9-3/h3-6H,1-2H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyNCQXUQTTXWOALT-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.67
Rot. Bonds

About 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione

4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione (PubChem CID 574043) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
PubChem CID574043
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)NC2NC(=O)NC(C)C12
InChIInChI=1S/C8H14N4O2/c1-3-5-4(2)10-8(14)12-6(5)11-7(13)9-3/h3-6H,1-2H3,(H2,9,11,13)(H2,10,12,14)
InChIKeyNCQXUQTTXWOALT-UHFFFAOYSA-N
XLogP-0.67
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione (CID 574043) is 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione is CC1NC(=O)NC2NC(=O)NC(C)C12.
What is the InChIKey of 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The InChIKey is NCQXUQTTXWOALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-5-4(2)10-8(14)12-6(5)11-7(13)9-3/h3-6H,1-2H3,(H2,9,11,13)(H2,10,12,14).
What are the key properties of 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione has a molecular weight of 198.23 g/mol, XLogP of -0.67, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 574043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).