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

C10H18N4O2 — CID 580594

IUPAC3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)N(C)C2NC(=O)N(C)C(C)C12
InChIInChI=1S/C10H18N4O2/c1-5-7-6(2)13(3)10(16)12-8(7)14(4)9(15)11-5/h5-8H,1-4H3,(H,11,15)(H,12,16)
InChIKeyFGSNPKZCESFAGK-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.02
Rot. Bonds

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

3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione (PubChem CID 580594) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
PubChem CID580594
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)N(C)C2NC(=O)N(C)C(C)C12
InChIInChI=1S/C10H18N4O2/c1-5-7-6(2)13(3)10(16)12-8(7)14(4)9(15)11-5/h5-8H,1-4H3,(H,11,15)(H,12,16)
InChIKeyFGSNPKZCESFAGK-UHFFFAOYSA-N
XLogP0.02
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione with MolForge

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Related Compounds

1,3,4,5,6,8-hexamethylhexahydropyrimido[4,5-d]pyrimidine-2,7(1H,3H)-dione
CID 2835542
Stk643723
CID 574043
2,5,7,10-Tetramethyl-2,4,8,10-tetraazabicyclo[4.4.0]decane-3,9-dione
CID 129801829
Pyrimido[4,5-d]pyrimidine-2,7-dione, decahydro-1,3,6-triacetyl-4,5-dimethyl-
CID 540362
7-hydroxy-4-methyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidin-2(3H)-one [M+H]+
CID 3823649
4-methyl-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 59548482
4-[(4-aminopiperidin-1-yl)methyl]-N-methylpiperidine-1-carboxamide
CID 69831184
4-[(4-aminopiperidin-1-yl)methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 69831387
[4-(Methylamino)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79152319
4-methyl-N-piperidin-4-ylpiperidine-1-carboxamide
CID 79160595
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 90447177
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpiperidine-1-carboxamide
CID 90447181

Frequently Asked Questions

What is the IUPAC name of 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione (CID 580594) is 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione is CC1NC(=O)N(C)C2NC(=O)N(C)C(C)C12.
What is the InChIKey of 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The InChIKey is FGSNPKZCESFAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-5-7-6(2)13(3)10(16)12-8(7)14(4)9(15)11-5/h5-8H,1-4H3,(H,11,15)(H,12,16).
What are the key properties of 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione has a molecular weight of 226.28 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,8-tetramethyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 580594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).