pyrido[4,3-d]pyrimidine;dihydrochloride

C7H7Cl2N3 — CID 57495363

IUPACpyrido[4,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc2ncncc2cn1
InChIInChI=1S/C7H5N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h1-5H;2*1H
InChIKeyBCYUPZHSTYPYNP-UHFFFAOYSA-N
MW204.06 g/mol
LogP1.87
Rot. Bonds

About pyrido[4,3-d]pyrimidine;dihydrochloride

pyrido[4,3-d]pyrimidine;dihydrochloride (PubChem CID 57495363) has the molecular formula C7H7Cl2N3 and a molecular weight of 204.06 g/mol. Its IUPAC name is pyrido[4,3-d]pyrimidine;dihydrochloride.

Molecular Properties

Compound Namepyrido[4,3-d]pyrimidine;dihydrochloride
PubChem CID57495363
Molecular FormulaC7H7Cl2N3
Molecular Weight204.06 g/mol
Exact Mass203.00
IUPAC Namepyrido[4,3-d]pyrimidine;dihydrochloride
SMILESCl.Cl.c1cc2ncncc2cn1
InChIInChI=1S/C7H5N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h1-5H;2*1H
InChIKeyBCYUPZHSTYPYNP-UHFFFAOYSA-N
XLogP1.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.06
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrido[4,3-d]pyrimidine;dihydrochloride?
The IUPAC name of pyrido[4,3-d]pyrimidine;dihydrochloride (CID 57495363) is pyrido[4,3-d]pyrimidine;dihydrochloride.
What is the SMILES notation for pyrido[4,3-d]pyrimidine;dihydrochloride?
The canonical SMILES for pyrido[4,3-d]pyrimidine;dihydrochloride is Cl.Cl.c1cc2ncncc2cn1.
What is the InChIKey of pyrido[4,3-d]pyrimidine;dihydrochloride?
The InChIKey is BCYUPZHSTYPYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3.2ClH/c1-2-8-3-6-4-9-5-10-7(1)6;;/h1-5H;2*1H.
What are the key properties of pyrido[4,3-d]pyrimidine;dihydrochloride?
pyrido[4,3-d]pyrimidine;dihydrochloride has a molecular weight of 204.06 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrido[4,3-d]pyrimidine;dihydrochloride is sourced from PubChem (CID 57495363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).