2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride

C7H9Cl2N3 — CID 57370986

IUPAC2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncc2c(n1)CCNC2
InChIInChI=1S/C7H8ClN3.ClH/c8-7-10-4-5-3-9-2-1-6(5)11-7;/h4,9H,1-3H2;1H
InChIKeyURRGZFZMXMCLTO-UHFFFAOYSA-N
MW206.08 g/mol
LogP1.20
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride

2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (PubChem CID 57370986) has the molecular formula C7H9Cl2N3 and a molecular weight of 206.08 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
PubChem CID57370986
Molecular FormulaC7H9Cl2N3
Molecular Weight206.08 g/mol
Exact Mass205.02
IUPAC Name2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncc2c(n1)CCNC2
InChIInChI=1S/C7H8ClN3.ClH/c8-7-10-4-5-3-9-2-1-6(5)11-7;/h4,9H,1-3H2;1H
InChIKeyURRGZFZMXMCLTO-UHFFFAOYSA-N
XLogP1.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.08
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (CID 57370986) is 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is Cl.Clc1ncc2c(n1)CCNC2.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The InChIKey is URRGZFZMXMCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3.ClH/c8-7-10-4-5-3-9-2-1-6(5)11-7;/h4,9H,1-3H2;1H.
What are the key properties of 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride has a molecular weight of 206.08 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 57370986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).