3-butyl-4H-pyrido[4,3-d]pyrimidine

C11H15N3 — CID 19906282

IUPAC3-butyl-4H-pyrido[4,3-d]pyrimidine
SMILESCCCCN1C=Nc2ccncc2C1
InChIInChI=1S/C11H15N3/c1-2-3-6-14-8-10-7-12-5-4-11(10)13-9-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyZUFAKVZRNLZLCZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.36
Rot. Bonds3

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

3-butyl-4H-pyrido[4,3-d]pyrimidine (PubChem CID 19906282) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-butyl-4H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name3-butyl-4H-pyrido[4,3-d]pyrimidine
PubChem CID19906282
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-butyl-4H-pyrido[4,3-d]pyrimidine
SMILESCCCCN1C=Nc2ccncc2C1
InChIInChI=1S/C11H15N3/c1-2-3-6-14-8-10-7-12-5-4-11(10)13-9-14/h4-5,7,9H,2-3,6,8H2,1H3
InChIKeyZUFAKVZRNLZLCZ-UHFFFAOYSA-N
XLogP2.36
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-4H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 3-butyl-4H-pyrido[4,3-d]pyrimidine (CID 19906282) is 3-butyl-4H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 3-butyl-4H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 3-butyl-4H-pyrido[4,3-d]pyrimidine is CCCCN1C=Nc2ccncc2C1.
What is the InChIKey of 3-butyl-4H-pyrido[4,3-d]pyrimidine?
The InChIKey is ZUFAKVZRNLZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-6-14-8-10-7-12-5-4-11(10)13-9-14/h4-5,7,9H,2-3,6,8H2,1H3.
What are the key properties of 3-butyl-4H-pyrido[4,3-d]pyrimidine?
3-butyl-4H-pyrido[4,3-d]pyrimidine has a molecular weight of 189.26 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 19906282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).