2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C10H13N3O2 — CID 81423278

IUPAC2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCNc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C10H13N3O2/c1-11-10-12-5-7-4-6(9(14)15)2-3-8(7)13-10/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyZMKJSJRMHVNEEN-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.71
Rot. Bonds2

About 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 81423278) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID81423278
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCNc1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C10H13N3O2/c1-11-10-12-5-7-4-6(9(14)15)2-3-8(7)13-10/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyZMKJSJRMHVNEEN-UHFFFAOYSA-N
XLogP0.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 81423278) is 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CNc1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is ZMKJSJRMHVNEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-11-10-12-5-7-4-6(9(14)15)2-3-8(7)13-10/h5-6H,2-4H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 81423278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).