N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H20F3N3O — CID 103476201

IUPACN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C14H20F3N3O/c1-2-7-18-13-10-5-3-4-6-11(10)19-12(20-13)8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20)
InChIKeyXUMSFFMDXHOOAJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.26
Rot. Bonds6

About N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 103476201) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID103476201
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCCNc1nc(COCC(F)(F)F)nc2c1CCCC2
InChIInChI=1S/C14H20F3N3O/c1-2-7-18-13-10-5-3-4-6-11(10)19-12(20-13)8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20)
InChIKeyXUMSFFMDXHOOAJ-UHFFFAOYSA-N
XLogP3.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 103476201) is N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCCNc1nc(COCC(F)(F)F)nc2c1CCCC2.
What is the InChIKey of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is XUMSFFMDXHOOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-2-7-18-13-10-5-3-4-6-11(10)19-12(20-13)8-21-9-14(15,16)17/h2-9H2,1H3,(H,18,19,20).
What are the key properties of N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 103476201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).