N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine

C11H15F3N4 — CID 82191507

IUPACN'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H15F3N4/c12-11(13,14)9-7-3-1-2-4-8(7)17-10(18-9)16-6-5-15/h1-6,15H2,(H,16,17,18)
InChIKeyQRBJHYBRZHCLFC-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.74
Rot. Bonds3

About N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine

N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine (PubChem CID 82191507) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine
PubChem CID82191507
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC NameN'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H15F3N4/c12-11(13,14)9-7-3-1-2-4-8(7)17-10(18-9)16-6-5-15/h1-6,15H2,(H,16,17,18)
InChIKeyQRBJHYBRZHCLFC-UHFFFAOYSA-N
XLogP1.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine (CID 82191507) is N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine is NCCNc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine?
The InChIKey is QRBJHYBRZHCLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)9-7-3-1-2-4-8(7)17-10(18-9)16-6-5-15/h1-6,15H2,(H,16,17,18).
What are the key properties of N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine?
N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine has a molecular weight of 260.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 82191507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).