1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine

C14H19F3N4 — CID 82192138

IUPAC1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)19-13(20-12)21-7-5-9(18)6-8-21/h9H,1-8,18H2
InChIKeyJTBXCXLEDTZNQE-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.30
Rot. Bonds1

About 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine

1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine (PubChem CID 82192138) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine
PubChem CID82192138
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)19-13(20-12)21-7-5-9(18)6-8-21/h9H,1-8,18H2
InChIKeyJTBXCXLEDTZNQE-UHFFFAOYSA-N
XLogP2.30
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
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-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
4-methyl-6-propan-2-yl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 97514914
2-Chloro-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline
CID 7172328

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine (CID 82192138) is 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine is NC1CCN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine?
The InChIKey is JTBXCXLEDTZNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)12-10-3-1-2-4-11(10)19-13(20-12)21-7-5-9(18)6-8-21/h9H,1-8,18H2.
What are the key properties of 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine?
1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine has a molecular weight of 300.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-amine is sourced from PubChem (CID 82192138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).