2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine

C10H12F3N3 — CID 57365084

IUPAC2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1nc2c(c(C(F)(F)F)n1)CC(N)CC2
InChIInChI=1S/C10H12F3N3/c1-5-15-8-3-2-6(14)4-7(8)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3
InChIKeyJFLSMACIXPDXIW-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.62
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine

2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 57365084) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID57365084
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1nc2c(c(C(F)(F)F)n1)CC(N)CC2
InChIInChI=1S/C10H12F3N3/c1-5-15-8-3-2-6(14)4-7(8)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3
InChIKeyJFLSMACIXPDXIW-UHFFFAOYSA-N
XLogP1.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine (CID 57365084) is 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine is Cc1nc2c(c(C(F)(F)F)n1)CC(N)CC2.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is JFLSMACIXPDXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-5-15-8-3-2-6(14)4-7(8)9(16-5)10(11,12)13/h6H,2-4,14H2,1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine?
2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 231.22 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 57365084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).