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

C12H22N4O2 — CID 2835542

IUPAC1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
InChIInChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3
InChIKeyIPCWYXAIQSTRTG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds

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

1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione (PubChem CID 2835542) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione
PubChem CID2835542
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
InChIInChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3
InChIKeyIPCWYXAIQSTRTG-UHFFFAOYSA-N
XLogP0.70
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione (CID 2835542) is 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione is CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C.
What is the InChIKey of 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The InChIKey is IPCWYXAIQSTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-7-9-8(2)14(4)12(18)16(6)10(9)15(5)11(17)13(7)3/h7-10H,1-6H3.
What are the key properties of 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione?
1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione has a molecular weight of 254.33 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,8-hexamethyl-4,4a,5,8a-tetrahydropyrimido[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 2835542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).