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

C8H12ClN3 — CID 55274148

IUPAC4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCc1ncnc2c1CCNC2.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-7-2-3-9-4-8(7)11-5-10-6;/h5,9H,2-4H2,1H3;1H
InChIKeyCYAAPSYFJHARCL-UHFFFAOYSA-N
MW185.66 g/mol
LogP0.85
Rot. Bonds

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

4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (PubChem CID 55274148) has the molecular formula C8H12ClN3 and a molecular weight of 185.66 g/mol. Its IUPAC name is 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
PubChem CID55274148
Molecular FormulaC8H12ClN3
Molecular Weight185.66 g/mol
Exact Mass185.07
IUPAC Name4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
SMILESCc1ncnc2c1CCNC2.Cl
InChIInChI=1S/C8H11N3.ClH/c1-6-7-2-3-9-4-8(7)11-5-10-6;/h5,9H,2-4H2,1H3;1H
InChIKeyCYAAPSYFJHARCL-UHFFFAOYSA-N
XLogP0.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.66
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10932674
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CID 21983612
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CID 117561553
CID 117561553
CID 11096174
CID 11096174
CID 19883247
CID 19883247
CID 20745808
CID 20745808
CID 22308430
CID 22308430
CID 54592578
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CID 73554533
CID 73554533

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride (CID 55274148) is 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is Cc1ncnc2c1CCNC2.Cl.
What is the InChIKey of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
The InChIKey is CYAAPSYFJHARCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3.ClH/c1-6-7-2-3-9-4-8(7)11-5-10-6;/h5,9H,2-4H2,1H3;1H.
What are the key properties of 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride?
4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride has a molecular weight of 185.66 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 55274148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).