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

C11H13N3O2 — CID 14663383

IUPAC3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-3-7-14-10(15)9-8(13-11(14)16)5-4-6-12-9/h4-6H,2-3,7H2,1H3,(H,13,16)
InChIKeyLVMGRVPDKRDFKD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.88
Rot. Bonds3

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

3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 14663383) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID14663383
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2cccnc2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-3-7-14-10(15)9-8(13-11(14)16)5-4-6-12-9/h4-6H,2-3,7H2,1H3,(H,13,16)
InChIKeyLVMGRVPDKRDFKD-UHFFFAOYSA-N
XLogP0.88
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
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-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione (CID 14663383) is 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c2cccnc2c1=O.
What is the InChIKey of 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LVMGRVPDKRDFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-3-7-14-10(15)9-8(13-11(14)16)5-4-6-12-9/h4-6H,2-3,7H2,1H3,(H,13,16).
What are the key properties of 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione?
3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 219.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1H-pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 14663383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).