2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine

C7H11N3 — CID 56983375

IUPAC2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine
SMILESC1=CNC2=NCNCC2C1
InChIInChI=1S/C7H11N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1,3,6,8H,2,4-5H2,(H,9,10)
InChIKeyJTXLKFQJGRLUPD-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.07
Rot. Bonds

About 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine

2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine (PubChem CID 56983375) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine
PubChem CID56983375
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine
SMILESC1=CNC2=NCNCC2C1
InChIInChI=1S/C7H11N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1,3,6,8H,2,4-5H2,(H,9,10)
InChIKeyJTXLKFQJGRLUPD-UHFFFAOYSA-N
XLogP0.07
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine?
The IUPAC name of 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine (CID 56983375) is 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine is C1=CNC2=NCNCC2C1.
What is the InChIKey of 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine?
The InChIKey is JTXLKFQJGRLUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1,3,6,8H,2,4-5H2,(H,9,10).
What are the key properties of 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine?
2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine has a molecular weight of 137.19 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,8-hexahydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 56983375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).