2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

C12H16N2O2 — CID 66686629

IUPAC2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC(C)c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-7(2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMSAVAQFORBSMJC-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.79
Rot. Bonds2

About 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid

2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (PubChem CID 66686629) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
PubChem CID66686629
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
SMILESCC(C)c1ncc2c(n1)CCC(C(=O)O)C2
InChIInChI=1S/C12H16N2O2/c1-7(2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyMSAVAQFORBSMJC-UHFFFAOYSA-N
XLogP1.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid (CID 66686629) is 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is CC(C)c1ncc2c(n1)CCC(C(=O)O)C2.
What is the InChIKey of 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
The InChIKey is MSAVAQFORBSMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)11-13-6-9-5-8(12(15)16)3-4-10(9)14-11/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid?
2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid is sourced from PubChem (CID 66686629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).