4a,8a-dihydropyrido[2,3-d]pyrimidine

C7H7N3 — CID 153198326

IUPAC4a,8a-dihydropyrido[2,3-d]pyrimidine
SMILESC1=CC2C=NC=NC2N=C1
InChIInChI=1S/C7H7N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-7H
InChIKeyWJKHSFOWHCTYQM-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.68
Rot. Bonds

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

4a,8a-dihydropyrido[2,3-d]pyrimidine (PubChem CID 153198326) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4a,8a-dihydropyrido[2,3-d]pyrimidine.

Molecular Properties

Compound Name4a,8a-dihydropyrido[2,3-d]pyrimidine
PubChem CID153198326
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name4a,8a-dihydropyrido[2,3-d]pyrimidine
SMILESC1=CC2C=NC=NC2N=C1
InChIInChI=1S/C7H7N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-7H
InChIKeyWJKHSFOWHCTYQM-UHFFFAOYSA-N
XLogP0.68
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydropyrido[2,3-d]pyrimidine?
The IUPAC name of 4a,8a-dihydropyrido[2,3-d]pyrimidine (CID 153198326) is 4a,8a-dihydropyrido[2,3-d]pyrimidine.
What is the SMILES notation for 4a,8a-dihydropyrido[2,3-d]pyrimidine?
The canonical SMILES for 4a,8a-dihydropyrido[2,3-d]pyrimidine is C1=CC2C=NC=NC2N=C1.
What is the InChIKey of 4a,8a-dihydropyrido[2,3-d]pyrimidine?
The InChIKey is WJKHSFOWHCTYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-7H.
What are the key properties of 4a,8a-dihydropyrido[2,3-d]pyrimidine?
4a,8a-dihydropyrido[2,3-d]pyrimidine has a molecular weight of 133.15 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,8a-dihydropyrido[2,3-d]pyrimidine is sourced from PubChem (CID 153198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).