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

C15H16N4O2 — CID 114738168

IUPACmethyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Nc2ccccc2)nc2c1CNCC2
InChIInChI=1S/C15H16N4O2/c1-21-14(20)13-11-9-16-8-7-12(11)18-15(19-13)17-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H,17,18,19)
InChIKeyNTRALEIQAKGHLG-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.65
Rot. Bonds3

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

methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (PubChem CID 114738168) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
PubChem CID114738168
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Namemethyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Nc2ccccc2)nc2c1CNCC2
InChIInChI=1S/C15H16N4O2/c1-21-14(20)13-11-9-16-8-7-12(11)18-15(19-13)17-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H,17,18,19)
InChIKeyNTRALEIQAKGHLG-UHFFFAOYSA-N
XLogP1.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate (CID 114738168) is methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is COC(=O)c1nc(Nc2ccccc2)nc2c1CNCC2.
What is the InChIKey of methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
The InChIKey is NTRALEIQAKGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-21-14(20)13-11-9-16-8-7-12(11)18-15(19-13)17-10-5-3-2-4-6-10/h2-6,16H,7-9H2,1H3,(H,17,18,19).
What are the key properties of methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate?
methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate has a molecular weight of 284.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114738168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).