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

C15H20N4O2 — CID 650212

IUPAC3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12
InChIInChI=1S/C15H20N4O2/c1-9-11-12(10-7-5-4-6-8-10)18(2)15(21)17-13(11)19(3)14(20)16-9/h4-9,11-13H,1-3H3,(H,16,20)(H,17,21)
InChIKeyMPIISNQCEKKBQG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds1

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

3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione (PubChem CID 650212) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione.

Molecular Properties

Compound Name3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
PubChem CID650212
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
SMILESCC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12
InChIInChI=1S/C15H20N4O2/c1-9-11-12(10-7-5-4-6-8-10)18(2)15(21)17-13(11)19(3)14(20)16-9/h4-9,11-13H,1-3H3,(H,16,20)(H,17,21)
InChIKeyMPIISNQCEKKBQG-UHFFFAOYSA-N
XLogP1.37
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The IUPAC name of 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione (CID 650212) is 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione.
What is the SMILES notation for 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The canonical SMILES for 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione is CC1NC(=O)N(C)C2NC(=O)N(C)C(c3ccccc3)C12.
What is the InChIKey of 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
The InChIKey is MPIISNQCEKKBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-11-12(10-7-5-4-6-8-10)18(2)15(21)17-13(11)19(3)14(20)16-9/h4-9,11-13H,1-3H3,(H,16,20)(H,17,21).
What are the key properties of 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione?
3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione has a molecular weight of 288.35 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trimethyl-4-phenyl-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione is sourced from PubChem (CID 650212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).