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

C8H12ClN3O — CID 50990943

IUPAC4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCOc1ncnc2c1CCNC2.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-12-8-6-2-3-9-4-7(6)10-5-11-8;/h5,9H,2-4H2,1H3;1H
InChIKeyQDDZJQFJFPYUSQ-UHFFFAOYSA-N
MW201.66 g/mol
LogP0.55
Rot. Bonds1

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

4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 50990943) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID50990943
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCOc1ncnc2c1CCNC2.Cl
InChIInChI=1S/C8H11N3O.ClH/c1-12-8-6-2-3-9-4-7(6)10-5-11-8;/h5,9H,2-4H2,1H3;1H
InChIKeyQDDZJQFJFPYUSQ-UHFFFAOYSA-N
XLogP0.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 50990943) is 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is COc1ncnc2c1CCNC2.Cl.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is QDDZJQFJFPYUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.ClH/c1-12-8-6-2-3-9-4-7(6)10-5-11-8;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 201.66 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 50990943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).