4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline

C17H19F3N6 — CID 126851350

IUPAC4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)14-9-15(23-11-22-14)25-5-7-26(8-6-25)16-12-3-1-2-4-13(12)21-10-24-16/h9-11H,1-8H2
InChIKeyRUDWRRUZGFVDFI-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.49
Rot. Bonds2

About 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline

4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 126851350) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID126851350
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC Name4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESFC(F)(F)c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)14-9-15(23-11-22-14)25-5-7-26(8-6-25)16-12-3-1-2-4-13(12)21-10-24-16/h9-11H,1-8H2
InChIKeyRUDWRRUZGFVDFI-UHFFFAOYSA-N
XLogP2.49
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 126851350) is 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline is FC(F)(F)c1cc(N2CCN(c3ncnc4c3CCCC4)CC2)ncn1.
What is the InChIKey of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is RUDWRRUZGFVDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c18-17(19,20)14-9-15(23-11-22-14)25-5-7-26(8-6-25)16-12-3-1-2-4-13(12)21-10-24-16/h9-11H,1-8H2.
What are the key properties of 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline?
4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 364.38 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 126851350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).