methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate

C13H18N4O2 — CID 114741856

IUPACmethyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(N2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H18N4O2/c1-19-12(18)11-9-4-5-14-8-10(9)15-13(16-11)17-6-2-3-7-17/h14H,2-8H2,1H3
InChIKeyFOGHQFMYFJGZOO-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.51
Rot. Bonds2

About methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate

methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate (PubChem CID 114741856) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
PubChem CID114741856
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(N2CCCC2)nc2c1CCNC2
InChIInChI=1S/C13H18N4O2/c1-19-12(18)11-9-4-5-14-8-10(9)15-13(16-11)17-6-2-3-7-17/h14H,2-8H2,1H3
InChIKeyFOGHQFMYFJGZOO-UHFFFAOYSA-N
XLogP0.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate (CID 114741856) is methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate is COC(=O)c1nc(N2CCCC2)nc2c1CCNC2.
What is the InChIKey of methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate?
The InChIKey is FOGHQFMYFJGZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-12(18)11-9-4-5-14-8-10(9)15-13(16-11)17-6-2-3-7-17/h14H,2-8H2,1H3.
What are the key properties of methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate?
methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyrrolidin-1-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylate is sourced from PubChem (CID 114741856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).