1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine

C7H11N3 — CID 68598121

IUPAC1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine
SMILESC1=NCC2=C(CCNC2)N1
InChIInChI=1S/C7H11N3/c1-2-8-3-6-4-9-5-10-7(1)6/h5,8H,1-4H2,(H,9,10)
InChIKeyQVFOROPZGGTFNG-UHFFFAOYSA-N
MW137.19 g/mol
LogP-0.13
Rot. Bonds

About 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine

1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine (PubChem CID 68598121) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine
PubChem CID68598121
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine
SMILESC1=NCC2=C(CCNC2)N1
InChIInChI=1S/C7H11N3/c1-2-8-3-6-4-9-5-10-7(1)6/h5,8H,1-4H2,(H,9,10)
InChIKeyQVFOROPZGGTFNG-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine (CID 68598121) is 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine is C1=NCC2=C(CCNC2)N1.
What is the InChIKey of 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine?
The InChIKey is QVFOROPZGGTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-8-3-6-4-9-5-10-7(1)6/h5,8H,1-4H2,(H,9,10).
What are the key properties of 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine?
1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine has a molecular weight of 137.19 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 68598121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).