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

C8H11Cl2N3O — CID 155820520

IUPAC2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCOc1nc(Cl)nc2c1CNCC2.Cl
InChIInChI=1S/C8H10ClN3O.ClH/c1-13-7-5-4-10-3-2-6(5)11-8(9)12-7;/h10H,2-4H2,1H3;1H
InChIKeyJPKQJJRZKIHXEY-UHFFFAOYSA-N
MW236.10 g/mol
LogP1.21
Rot. Bonds1

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

2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (PubChem CID 155820520) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
PubChem CID155820520
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride
SMILESCOc1nc(Cl)nc2c1CNCC2.Cl
InChIInChI=1S/C8H10ClN3O.ClH/c1-13-7-5-4-10-3-2-6(5)11-8(9)12-7;/h10H,2-4H2,1H3;1H
InChIKeyJPKQJJRZKIHXEY-UHFFFAOYSA-N
XLogP1.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The IUPAC name of 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride (CID 155820520) is 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is COc1nc(Cl)nc2c1CNCC2.Cl.
What is the InChIKey of 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
The InChIKey is JPKQJJRZKIHXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O.ClH/c1-13-7-5-4-10-3-2-6(5)11-8(9)12-7;/h10H,2-4H2,1H3;1H.
What are the key properties of 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride?
2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride has a molecular weight of 236.10 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine;hydrochloride is sourced from PubChem (CID 155820520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).