methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate

C11H15N3O3 — CID 83897521

IUPACmethyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(c(OC)n1)CNCC2
InChIInChI=1S/C11H15N3O3/c1-16-10(15)5-9-13-8-3-4-12-6-7(8)11(14-9)17-2/h12H,3-6H2,1-2H3
InChIKeyISMIKUYOPHQJNO-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.15
Rot. Bonds3

About methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate

methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate (PubChem CID 83897521) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate
PubChem CID83897521
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Namemethyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate
SMILESCOC(=O)Cc1nc2c(c(OC)n1)CNCC2
InChIInChI=1S/C11H15N3O3/c1-16-10(15)5-9-13-8-3-4-12-6-7(8)11(14-9)17-2/h12H,3-6H2,1-2H3
InChIKeyISMIKUYOPHQJNO-UHFFFAOYSA-N
XLogP-0.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50988019
4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 50989214
2-chloro-4-methoxy-5H,6H,7H,8H-pyrido[4,3-d]pyrimidinehydrochloride
CID 155820520
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635934
2-Cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636045
2-Fluoro-4-propan-2-yloxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576404
4-Ethoxy-2-fluoro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 172576450
6-(difluoromethyl)-4-methoxy-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576478
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115039280
2-chloro-6-(difluoromethyl)-4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 172576502
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-4-yl 1-ethylpiperidine-4-carboxylate
CID 67395254

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate?
The IUPAC name of methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate (CID 83897521) is methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate?
The canonical SMILES for methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate is COC(=O)Cc1nc2c(c(OC)n1)CNCC2.
What is the InChIKey of methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate?
The InChIKey is ISMIKUYOPHQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-16-10(15)5-9-13-8-3-4-12-6-7(8)11(14-9)17-2/h12H,3-6H2,1-2H3.
What are the key properties of methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate?
methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate has a molecular weight of 237.26 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)acetate is sourced from PubChem (CID 83897521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).