1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine

C7H9N3 — CID 151634246

IUPAC1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine
SMILESC1=NCC2=CNCC=C2N1
InChIInChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h1,3,5,8H,2,4H2,(H,9,10)
InChIKeyQRDYZKZBIZUIDV-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.01
Rot. Bonds

About 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine

1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 151634246) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID151634246
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine
SMILESC1=NCC2=CNCC=C2N1
InChIInChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h1,3,5,8H,2,4H2,(H,9,10)
InChIKeyQRDYZKZBIZUIDV-UHFFFAOYSA-N
XLogP-0.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclopenta[g]quinazoline
CID 18925113
Cyclopentaquinazoline
CID 87106084
1H-Cyclohepta[d]pyrimidine
CID 45080488
1,5,6,7-Tetrahydroquinazolin-8-amine
CID 67606513
4,7-dihydro-1H-cyclopenta[d]pyrimidine
CID 68168320
1,4,5,6,7,8-Hexahydropyrido[4,3-d]pyrimidine
CID 68598121
7-N,7-dimethyl-1H-quinazoline-2,7-diamine
CID 70100778
1,6-Dihydropyrido[2,3-g]quinazoline
CID 88708143
8-Methyl-1,4,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 90291949
1,4,6,7-Tetrahydroquinazoline
CID 91013130
1,4,7,8-Tetrahydroquinazoline
CID 91106721
1,4,4a,5-Tetrahydroquinazoline
CID 91612703

Frequently Asked Questions

What is the IUPAC name of 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine (CID 151634246) is 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine is C1=NCC2=CNCC=C2N1.
What is the InChIKey of 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is QRDYZKZBIZUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h1,3,5,8H,2,4H2,(H,9,10).
What are the key properties of 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine?
1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 135.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6,7-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 151634246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).