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

C7H12N4O2 — CID 3823649

IUPAC4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)NC2NC(=O)NCC12
InChIInChI=1S/C7H12N4O2/c1-3-4-2-8-6(12)10-5(4)11-7(13)9-3/h3-5H,2H2,1H3,(H2,8,10,12)(H2,9,11,13)
InChIKeyCJNSZGMXFQQMOV-UHFFFAOYSA-N
MW184.20 g/mol
LogP-1.06
Rot. Bonds

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

4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione (PubChem CID 3823649) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
PubChem CID3823649
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)NC2NC(=O)NCC12
InChIInChI=1S/C7H12N4O2/c1-3-4-2-8-6(12)10-5(4)11-7(13)9-3/h3-5H,2H2,1H3,(H2,8,10,12)(H2,9,11,13)
InChIKeyCJNSZGMXFQQMOV-UHFFFAOYSA-N
XLogP-1.06
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione (CID 3823649) is 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione is CC1NC(=O)NC2NC(=O)NCC12.
What is the InChIKey of 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The InChIKey is CJNSZGMXFQQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-4-2-8-6(12)10-5(4)11-7(13)9-3/h3-5H,2H2,1H3,(H2,8,10,12)(H2,9,11,13).
What are the key properties of 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione?
4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione has a molecular weight of 184.20 g/mol, XLogP of -1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 3823649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).