ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate

C15H23N3O2 — CID 126630231

IUPACethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate
SMILESCCOC(=O)CC(C)CN1CCc2nc(C)ncc2C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)7-11(2)9-18-6-5-14-13(10-18)8-16-12(3)17-14/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXWNMXXWNKNQYGW-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.73
Rot. Bonds5

About ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate

ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate (PubChem CID 126630231) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate
PubChem CID126630231
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nameethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate
SMILESCCOC(=O)CC(C)CN1CCc2nc(C)ncc2C1
InChIInChI=1S/C15H23N3O2/c1-4-20-15(19)7-11(2)9-18-6-5-14-13(10-18)8-16-12(3)17-14/h8,11H,4-7,9-10H2,1-3H3
InChIKeyXWNMXXWNKNQYGW-UHFFFAOYSA-N
XLogP1.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoic acid
CID 126630237
ethyl 3-methyl-4-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126619164
ethyl 3-methyl-4-[2-(3-phenylmethoxycyclobutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate
CID 126618690
1-[4-ethoxy-3-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]phenyl]ethanone
CID 167957058
2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-amine
CID 123594132
3-methyl-4-[2-[4-[(4-methylphenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid
CID 126618984
6-[(2,6-dimethylphenyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928986
2-[2-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrrol-1-yl]acetic acid
CID 24917852
6-(1H-imidazol-5-ylmethyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910293
2-methyl-4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915795
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912561

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate?
The IUPAC name of ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate (CID 126630231) is ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate.
What is the SMILES notation for ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate?
The canonical SMILES for ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate is CCOC(=O)CC(C)CN1CCc2nc(C)ncc2C1.
What is the InChIKey of ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate?
The InChIKey is XWNMXXWNKNQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-15(19)7-11(2)9-18-6-5-14-13(10-18)8-16-12(3)17-14/h8,11H,4-7,9-10H2,1-3H3.
What are the key properties of ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate?
ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate has a molecular weight of 277.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)butanoate is sourced from PubChem (CID 126630231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).