2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

C11H14N4O2 — CID 114743097

IUPAC2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NC2CC2)nc2c1CCNC2
InChIInChI=1S/C11H14N4O2/c16-10(17)9-7-3-4-12-5-8(7)14-11(15-9)13-6-1-2-6/h6,12H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPJBNYYDRMSFIGG-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.39
Rot. Bonds3

About 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid

2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (PubChem CID 114743097) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
PubChem CID114743097
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(NC2CC2)nc2c1CCNC2
InChIInChI=1S/C11H14N4O2/c16-10(17)9-7-3-4-12-5-8(7)14-11(15-9)13-6-1-2-6/h6,12H,1-5H2,(H,16,17)(H,13,14,15)
InChIKeyPJBNYYDRMSFIGG-UHFFFAOYSA-N
XLogP0.39
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid (CID 114743097) is 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is O=C(O)c1nc(NC2CC2)nc2c1CCNC2.
What is the InChIKey of 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
The InChIKey is PJBNYYDRMSFIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10(17)9-7-3-4-12-5-8(7)14-11(15-9)13-6-1-2-6/h6,12H,1-5H2,(H,16,17)(H,13,14,15).
What are the key properties of 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid?
2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 114743097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).