3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane

C13H23N3O2 — CID 142925615

IUPAC3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane
SMILESCC(C)C.CN1CCc2[nH]c(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H13N3O2.C4H10/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;1-4(2)3/h3-5H2,1-2H3,(H,10,14);4H,1-3H3
InChIKeyKJPIFZITPMEHEI-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.72
Rot. Bonds

About 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane

3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane (PubChem CID 142925615) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane.

Molecular Properties

Compound Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane
PubChem CID142925615
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane
SMILESCC(C)C.CN1CCc2[nH]c(=O)n(C)c(=O)c2C1
InChIInChI=1S/C9H13N3O2.C4H10/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;1-4(2)3/h3-5H2,1-2H3,(H,10,14);4H,1-3H3
InChIKeyKJPIFZITPMEHEI-UHFFFAOYSA-N
XLogP0.72
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane?
The IUPAC name of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane (CID 142925615) is 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane.
What is the SMILES notation for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane?
The canonical SMILES for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane is CC(C)C.CN1CCc2[nH]c(=O)n(C)c(=O)c2C1.
What is the InChIKey of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane?
The InChIKey is KJPIFZITPMEHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.C4H10/c1-11-4-3-7-6(5-11)8(13)12(2)9(14)10-7;1-4(2)3/h3-5H2,1-2H3,(H,10,14);4H,1-3H3.
What are the key properties of 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane?
3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane has a molecular weight of 253.35 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;2-methylpropane is sourced from PubChem (CID 142925615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).