N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide

C15H22N4O — CID 68679841

IUPACN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
SMILESNc1ncc2c(n1)CCC(NC(=O)CC1CCCC1)C2
InChIInChI=1S/C15H22N4O/c16-15-17-9-11-8-12(5-6-13(11)19-15)18-14(20)7-10-3-1-2-4-10/h9-10,12H,1-8H2,(H,18,20)(H2,16,17,19)
InChIKeyCELKDDXNUSMQPU-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.61
Rot. Bonds3

About N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide

N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide (PubChem CID 68679841) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
PubChem CID68679841
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide
SMILESNc1ncc2c(n1)CCC(NC(=O)CC1CCCC1)C2
InChIInChI=1S/C15H22N4O/c16-15-17-9-11-8-12(5-6-13(11)19-15)18-14(20)7-10-3-1-2-4-10/h9-10,12H,1-8H2,(H,18,20)(H2,16,17,19)
InChIKeyCELKDDXNUSMQPU-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide?
The IUPAC name of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide (CID 68679841) is N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide.
What is the SMILES notation for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide?
The canonical SMILES for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide is Nc1ncc2c(n1)CCC(NC(=O)CC1CCCC1)C2.
What is the InChIKey of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide?
The InChIKey is CELKDDXNUSMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c16-15-17-9-11-8-12(5-6-13(11)19-15)18-14(20)7-10-3-1-2-4-10/h9-10,12H,1-8H2,(H,18,20)(H2,16,17,19).
What are the key properties of N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide?
N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide has a molecular weight of 274.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5,6,7,8-tetrahydroquinazolin-6-yl)-2-cyclopentylacetamide is sourced from PubChem (CID 68679841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).