2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C9H12ClN3O — CID 83835414

IUPAC2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1CCN(C)C2
InChIInChI=1S/C9H12ClN3O/c1-13-4-3-6-7(5-13)11-9(10)12-8(6)14-2/h3-5H2,1-2H3
InChIKeyDBXGREDSDAMPNQ-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.13
Rot. Bonds1

About 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 83835414) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID83835414
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCOc1nc(Cl)nc2c1CCN(C)C2
InChIInChI=1S/C9H12ClN3O/c1-13-4-3-6-7(5-13)11-9(10)12-8(6)14-2/h3-5H2,1-2H3
InChIKeyDBXGREDSDAMPNQ-UHFFFAOYSA-N
XLogP1.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
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
(S)-4-Methoxy-2-[(1-methyl-2-pyrrolidinyl)methoxy]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 154718165
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
2,4-dimethoxy-5-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 160399616
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 163223046
tert-butyl 4-methoxy-2-(3,3,3-trifluoropropoxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;ethane
CID 163223212
4-Methoxy-2-(3,3,3-trifluoropropoxy)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 163223550
2-fluoro-7-methyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576417
2-chloro-6-(difluoromethyl)-4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576434

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 83835414) is 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COc1nc(Cl)nc2c1CCN(C)C2.
What is the InChIKey of 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is DBXGREDSDAMPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-13-4-3-6-7(5-13)11-9(10)12-8(6)14-2/h3-5H2,1-2H3.
What are the key properties of 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 213.67 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 83835414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).