N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

C14H19F3N4 — CID 82192070

IUPACN-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFC(F)(F)c1nc(NC2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)20-13(21-12)19-9-5-7-18-8-6-9/h9,18H,1-8H2,(H,19,20,21)
InChIKeyUEVSWWNTCQEBSX-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.54
Rot. Bonds2

About N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 82192070) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID82192070
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC NameN-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESFC(F)(F)c1nc(NC2CCNCC2)nc2c1CCCC2
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)20-13(21-12)19-9-5-7-18-8-6-9/h9,18H,1-8H2,(H,19,20,21)
InChIKeyUEVSWWNTCQEBSX-UHFFFAOYSA-N
XLogP2.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 4962065
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 24992735
4-N-butyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 137381340
4-(Trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 640492
4-N-butyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine
CID 117561553
4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2-amine
CID 44205247
4-N-(1-methylpiperidin-4-yl)spiro[6,7-dihydro-5H-quinazoline-8,1'-cyclopentane]-2,4-diamine
CID 44231620
2-Piperidyl-4-(trifluoromethyl)-5,6,7,8,9-pentahydrocyclohepta[2,1-d]pyrimidin e
CID 17382094
N,N-Dimethyl-2-(4-methylpiperidin-1-YL)-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-4-amine
CID 46050212
4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine
CID 46881970
N-{1-[2-(Dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-YL]piperidin-4-YL}acetamide
CID 50961015
2-Chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 7172328

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 82192070) is N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is FC(F)(F)c1nc(NC2CCNCC2)nc2c1CCCC2.
What is the InChIKey of N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is UEVSWWNTCQEBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)20-13(21-12)19-9-5-7-18-8-6-9/h9,18H,1-8H2,(H,19,20,21).
What are the key properties of N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 300.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 82192070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).