4-heptan-3-ylpyrido[3,2-d]pyrimidine

C14H19N3 — CID 155035105

IUPAC4-heptan-3-ylpyrido[3,2-d]pyrimidine
SMILESCCCCC(CC)c1ncnc2cccnc12
InChIInChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-14-12(16-10-17-13)8-6-9-15-14/h6,8-11H,3-5,7H2,1-2H3
InChIKeyHMSVSVNDNMOXOQ-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.71
Rot. Bonds5

About 4-heptan-3-ylpyrido[3,2-d]pyrimidine

4-heptan-3-ylpyrido[3,2-d]pyrimidine (PubChem CID 155035105) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-heptan-3-ylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-heptan-3-ylpyrido[3,2-d]pyrimidine
PubChem CID155035105
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-heptan-3-ylpyrido[3,2-d]pyrimidine
SMILESCCCCC(CC)c1ncnc2cccnc12
InChIInChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-14-12(16-10-17-13)8-6-9-15-14/h6,8-11H,3-5,7H2,1-2H3
InChIKeyHMSVSVNDNMOXOQ-UHFFFAOYSA-N
XLogP3.71
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-ylpyrido[3,2-d]pyrimidine?
The IUPAC name of 4-heptan-3-ylpyrido[3,2-d]pyrimidine (CID 155035105) is 4-heptan-3-ylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 4-heptan-3-ylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 4-heptan-3-ylpyrido[3,2-d]pyrimidine is CCCCC(CC)c1ncnc2cccnc12.
What is the InChIKey of 4-heptan-3-ylpyrido[3,2-d]pyrimidine?
The InChIKey is HMSVSVNDNMOXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-5-7-11(4-2)13-14-12(16-10-17-13)8-6-9-15-14/h6,8-11H,3-5,7H2,1-2H3.
What are the key properties of 4-heptan-3-ylpyrido[3,2-d]pyrimidine?
4-heptan-3-ylpyrido[3,2-d]pyrimidine has a molecular weight of 229.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-ylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 155035105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).