methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate

C15H16N4O2 — CID 114738183

IUPACmethyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ncccc2C)nc2c1CNCC2
InChIInChI=1S/C15H16N4O2/c1-9-4-3-6-17-12(9)14-18-11-5-7-16-8-10(11)13(19-14)15(20)21-2/h3-4,6,16H,5,7-8H2,1-2H3
InChIKeyPNIFMXUMDVAIJC-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate

methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (PubChem CID 114738183) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
PubChem CID114738183
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Namemethyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ncccc2C)nc2c1CNCC2
InChIInChI=1S/C15H16N4O2/c1-9-4-3-6-17-12(9)14-18-11-5-7-16-8-10(11)13(19-14)15(20)21-2/h3-4,6,16H,5,7-8H2,1-2H3
InChIKeyPNIFMXUMDVAIJC-UHFFFAOYSA-N
XLogP1.28
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738174
methyl 2-(3-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738138
methyl 2-(5-bromo-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738247
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168
methyl 2-(1,3-thiazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738243
methyl 2-cycloheptyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738187
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
methyl 2-thiophen-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741511
methyl 2-(4-methylthiophen-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741547
2-(3-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylic acid
CID 114738775
ethyl 2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738039

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (CID 114738183) is methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ncccc2C)nc2c1CNCC2.
What is the InChIKey of methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The InChIKey is PNIFMXUMDVAIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9-4-3-6-17-12(9)14-18-11-5-7-16-8-10(11)13(19-14)15(20)21-2/h3-4,6,16H,5,7-8H2,1-2H3.
What are the key properties of methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114738183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).