3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

C8H7N3O2 — CID 131133295

IUPAC3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C8H7N3O2/c1-11-7(12)6-5(10-8(11)13)3-2-4-9-6/h2-4H,1H3,(H,10,13)
InChIKeyYJGQVDNJAQJWNS-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.38
Rot. Bonds

About 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione

3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 131133295) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID131133295
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C8H7N3O2/c1-11-7(12)6-5(10-8(11)13)3-2-4-9-6/h2-4H,1H3,(H,10,13)
InChIKeyYJGQVDNJAQJWNS-UHFFFAOYSA-N
XLogP-0.38
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 131133295) is 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is Cn1c(=O)[nH]c2cccnc2c1=O.
What is the InChIKey of 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is YJGQVDNJAQJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c1-11-7(12)6-5(10-8(11)13)3-2-4-9-6/h2-4H,1H3,(H,10,13).
What are the key properties of 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 177.16 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 131133295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).