N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

C19H22F3N5O — CID 171102453

IUPACN-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCCNC2)nc1Oc1cccc2c1NCCC2
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-11-25-18(26-13-6-3-8-23-10-13)27-17(14)28-15-7-1-4-12-5-2-9-24-16(12)15/h1,4,7,11,13,23-24H,2-3,5-6,8-10H2,(H,25,26,27)
InChIKeyHHKIJYFKSSNDBK-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.81
Rot. Bonds4

About N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine

N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171102453) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171102453
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC2CCCNC2)nc1Oc1cccc2c1NCCC2
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)14-11-25-18(26-13-6-3-8-23-10-13)27-17(14)28-15-7-1-4-12-5-2-9-24-16(12)15/h1,4,7,11,13,23-24H,2-3,5-6,8-10H2,(H,25,26,27)
InChIKeyHHKIJYFKSSNDBK-UHFFFAOYSA-N
XLogP3.81
TPSA71.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-(3-dimethylphosphorylphenyl)-2-N-piperidin-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171102683
4-N-naphthalen-2-yl-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858875
4-N-(6-phenyl-2-pyridinyl)-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858828
N-[(3S)-piperidin-3-yl]-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102501
4-N-(1,3-benzothiazol-2-yl)-2-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 175858793
N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168827322
2-[[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide
CID 171102573
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
4-(6-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 170710859
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62927288
3-[2-(piperidin-3-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,4,5,6,7,8-hexahydropyrrolo[2,3-c]azocin-9-one
CID 171102402

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine (CID 171102453) is N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NC2CCCNC2)nc1Oc1cccc2c1NCCC2.
What is the InChIKey of N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HHKIJYFKSSNDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)14-11-25-18(26-13-6-3-8-23-10-13)27-17(14)28-15-7-1-4-12-5-2-9-24-16(12)15/h1,4,7,11,13,23-24H,2-3,5-6,8-10H2,(H,25,26,27).
What are the key properties of N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine?
N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 393.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-(1,2,3,4-tetrahydroquinolin-8-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171102453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).