N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

C11H13F3N4O — CID 53431716

IUPACN-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCC(=O)NC1CCc2nc(N)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O/c1-5(19)16-6-2-3-8-7(4-6)9(11(12,13)14)18-10(15)17-8/h6H,2-4H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyMRUGVQSZNYENLS-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.07
Rot. Bonds1

About N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide

N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (PubChem CID 53431716) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
PubChem CID53431716
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC NameN-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide
SMILESCC(=O)NC1CCc2nc(N)nc(C(F)(F)F)c2C1
InChIInChI=1S/C11H13F3N4O/c1-5(19)16-6-2-3-8-7(4-6)9(11(12,13)14)18-10(15)17-8/h6H,2-4H2,1H3,(H,16,19)(H2,15,17,18)
InChIKeyMRUGVQSZNYENLS-UHFFFAOYSA-N
XLogP1.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The IUPAC name of N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide (CID 53431716) is N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide.
What is the SMILES notation for N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The canonical SMILES for N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is CC(=O)NC1CCc2nc(N)nc(C(F)(F)F)c2C1.
What is the InChIKey of N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
The InChIKey is MRUGVQSZNYENLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-5(19)16-6-2-3-8-7(4-6)9(11(12,13)14)18-10(15)17-8/h6H,2-4H2,1H3,(H,16,19)(H2,15,17,18).
What are the key properties of N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide?
N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide has a molecular weight of 274.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]acetamide is sourced from PubChem (CID 53431716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).