3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

C13H21N3O2 — CID 58748052

IUPAC3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1CCc2[nH]c(=O)n(C(C)C)c(=O)c2C1
InChIInChI=1S/C13H21N3O2/c1-8(2)15-6-5-11-10(7-15)12(17)16(9(3)4)13(18)14-11/h8-9H,5-7H2,1-4H3,(H,14,18)
InChIKeyIWVBYNZOFZJXSO-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.88
Rot. Bonds2

About 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione

3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 58748052) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID58748052
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCC(C)N1CCc2[nH]c(=O)n(C(C)C)c(=O)c2C1
InChIInChI=1S/C13H21N3O2/c1-8(2)15-6-5-11-10(7-15)12(17)16(9(3)4)13(18)14-11/h8-9H,5-7H2,1-4H3,(H,14,18)
InChIKeyIWVBYNZOFZJXSO-UHFFFAOYSA-N
XLogP0.88
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 58748052) is 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is CC(C)N1CCc2[nH]c(=O)n(C(C)C)c(=O)c2C1.
What is the InChIKey of 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is IWVBYNZOFZJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)15-6-5-11-10(7-15)12(17)16(9(3)4)13(18)14-11/h8-9H,5-7H2,1-4H3,(H,14,18).
What are the key properties of 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 58748052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).