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

C8H11N3O2 — CID 83875697

IUPAC1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)[nH]c1=O)CNCC2
InChIInChI=1S/C8H11N3O2/c1-11-6-2-3-9-4-5(6)7(12)10-8(11)13/h9H,2-4H2,1H3,(H,10,12,13)
InChIKeyBCUAZUSZOCIUDA-UHFFFAOYSA-N
MW181.19 g/mol
LogP-1.28
Rot. Bonds

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

1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 83875697) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID83875697
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESCn1c2c(c(=O)[nH]c1=O)CNCC2
InChIInChI=1S/C8H11N3O2/c1-11-6-2-3-9-4-5(6)7(12)10-8(11)13/h9H,2-4H2,1H3,(H,10,12,13)
InChIKeyBCUAZUSZOCIUDA-UHFFFAOYSA-N
XLogP-1.28
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 83875697) is 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is Cn1c2c(c(=O)[nH]c1=O)CNCC2.
What is the InChIKey of 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is BCUAZUSZOCIUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11-6-2-3-9-4-5(6)7(12)10-8(11)13/h9H,2-4H2,1H3,(H,10,12,13).
What are the key properties of 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 83875697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).