4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C17H18F3N5 — CID 118905888

IUPAC4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3c(c2)CCNC3)nc1NC1CC1
InChIInChI=1S/C17H18F3N5/c18-17(19,20)14-9-22-16(25-15(14)23-12-3-4-12)24-13-2-1-11-8-21-6-5-10(11)7-13/h1-2,7,9,12,21H,3-6,8H2,(H2,22,23,24,25)
InChIKeyJCYFYSMBHITKTP-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.46
Rot. Bonds4

About 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 118905888) has the molecular formula C17H18F3N5 and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID118905888
Molecular FormulaC17H18F3N5
Molecular Weight349.36 g/mol
Exact Mass349.15
IUPAC Name4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccc3c(c2)CCNC3)nc1NC1CC1
InChIInChI=1S/C17H18F3N5/c18-17(19,20)14-9-22-16(25-15(14)23-12-3-4-12)24-13-2-1-11-8-21-6-5-10(11)7-13/h1-2,7,9,12,21H,3-6,8H2,(H2,22,23,24,25)
InChIKeyJCYFYSMBHITKTP-UHFFFAOYSA-N
XLogP3.46
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine 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

Ngd-8243
CID 11247522
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
5-fluoro-N,N'-bis(3-methylphenyl)pyrimidine-2,4-diamine
CID 802952
4-N-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328058
N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CID 59225335
N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)isoquinolin-1-amine
CID 11554490
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
7-N-[4-(dimethylamino)butyl]-4-N-(3-methylphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328327
(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-(pyrimidin-5-yl)piperazine-1-carboxamide
CID 11689938
4-N-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328059
Pyrido[4,3-d]pyrimidine-4,7-diamine,n4-[[2-(trifluoromethyl)phenyl]methyl]-
CID 5328084
Pyrido[4,3-d]pyrimidine-4,7-diamine,n4-[[4-(trifluoromethyl)phenyl]methyl]-
CID 5328086

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 118905888) is 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Nc2ccc3c(c2)CCNC3)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is JCYFYSMBHITKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5/c18-17(19,20)14-9-22-16(25-15(14)23-12-3-4-12)24-13-2-1-11-8-21-6-5-10(11)7-13/h1-2,7,9,12,21H,3-6,8H2,(H2,22,23,24,25).
What are the key properties of 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 349.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 118905888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).