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

C14H19N3O2 — CID 114738097

IUPACethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2C)nc2c1CNCC2
InChIInChI=1S/C14H19N3O2/c1-3-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-6-8(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyXRUUHDQQAZZZQF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.42
Rot. Bonds3

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

ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (PubChem CID 114738097) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
PubChem CID114738097
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C2CC2C)nc2c1CNCC2
InChIInChI=1S/C14H19N3O2/c1-3-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-6-8(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyXRUUHDQQAZZZQF-UHFFFAOYSA-N
XLogP1.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(diethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738064
ethyl 2-butan-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738102
ethyl 2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738039
ethyl 2-(1-methylimidazol-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738081
methyl 2-cycloheptyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738187
ethyl 4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-3-carboxylate
CID 84666770
ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate
CID 46941558
ethyl 4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxylate
CID 21056777
methyl 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741585
ethyl 5-[(1R,2R)-2-methylcyclopropyl]-1H-pyrazole-3-carboxylate
CID 171800759
diethyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2,4-dicarboxylate
CID 10355484
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738168

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (CID 114738097) is ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is CCOC(=O)c1nc(C2CC2C)nc2c1CNCC2.
What is the InChIKey of ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The InChIKey is XRUUHDQQAZZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-14(18)12-10-7-15-5-4-11(10)16-13(17-12)9-6-8(9)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114738097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).