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

C8H11N3O — CID 50989214

IUPAC4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CNCC2
InChIInChI=1S/C8H11N3O/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h5,9H,2-4H2,1H3
InChIKeyFAQYDZRQALQEDF-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.13
Rot. Bonds1

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

4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 50989214) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID50989214
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCOc1ncnc2c1CNCC2
InChIInChI=1S/C8H11N3O/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h5,9H,2-4H2,1H3
InChIKeyFAQYDZRQALQEDF-UHFFFAOYSA-N
XLogP0.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methoxy-2-(piperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
CID 498210
4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine;hydrochloride
CID 73355001
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
2,4-dimethoxy-6-(trifluoromethylsulfonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 102386112
4-ethoxy-6-(2-methoxyethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 53538543
N-(2-cyclohexylcyclopropyl)-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 102559317
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-Methoxy-6-propan-2-yl-5-(trifluoromethyl)pyrimidine
CID 58115651
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 50989214) is 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is COc1ncnc2c1CNCC2.
What is the InChIKey of 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is FAQYDZRQALQEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h5,9H,2-4H2,1H3.
What are the key properties of 4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 165.20 g/mol, XLogP of 0.13, 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[4,3-d]pyrimidine is sourced from PubChem (CID 50989214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).