4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

C19H25F3N6O — CID 165402295

IUPAC4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNCC(CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1C(F)(F)F)OC
InChIInChI=1S/C19H25F3N6O/c1-23-9-15(29-2)10-25-17-16(19(20,21)22)11-26-18(28-17)27-14-4-3-13-8-24-6-5-12(13)7-14/h3-4,7,11,15,23-24H,5-6,8-10H2,1-2H3,(H2,25,26,27,28)
InChIKeyYERBOEAIYLPNIK-UHFFFAOYSA-N
MW410.44 g/mol
LogP2.53
Rot. Bonds8

About 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 165402295) has the molecular formula C19H25F3N6O and a molecular weight of 410.44 g/mol. Its IUPAC name is 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID165402295
Molecular FormulaC19H25F3N6O
Molecular Weight410.44 g/mol
Exact Mass410.20
IUPAC Name4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNCC(CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1C(F)(F)F)OC
InChIInChI=1S/C19H25F3N6O/c1-23-9-15(29-2)10-25-17-16(19(20,21)22)11-26-18(28-17)27-14-4-3-13-8-24-6-5-12(13)7-14/h3-4,7,11,15,23-24H,5-6,8-10H2,1-2H3,(H2,25,26,27,28)
InChIKeyYERBOEAIYLPNIK-UHFFFAOYSA-N
XLogP2.53
TPSA83.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-N-[2-methoxy-3-(methylamino)propyl]-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

N-methyl-N-[3-[[[2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]-2-pyridinyl]methanesulfonamide
CID 168876522
4-(4-fluoroanilino)-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557766
2-N-(2,3-dihydro-1H-isoindol-5-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethylamino)pyrazin-2-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 168876598
4-N-cyclopropyl-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4,5-triamine
CID 156831460
2-N-(3,4-dichlorophenyl)-4-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 67210283
6-[[4-[3-(methylamino)propylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
CID 157275377
8-fluoro-4-propan-2-yl-6-[2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-5-(trifluoromethyl)pyrimidin-4-yl]-1,4-benzoxazin-3-one
CID 139409794
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
CID 155709552
4-N-cyclopropyl-2-N-(2,3-dihydro-1H-inden-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 156831501
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965
4-(4-fluoroanilino)-N-prop-2-enyl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557143
3-hydroxy-3-methyl-1-[6-[[4-(piperidin-4-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]butan-2-one
CID 169102747

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 165402295) is 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNCC(CNc1nc(Nc2ccc3c(c2)CCNC3)ncc1C(F)(F)F)OC.
What is the InChIKey of 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is YERBOEAIYLPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N6O/c1-23-9-15(29-2)10-25-17-16(19(20,21)22)11-26-18(28-17)27-14-4-3-13-8-24-6-5-12(13)7-14/h3-4,7,11,15,23-24H,5-6,8-10H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 410.44 g/mol, XLogP of 2.53, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-methoxy-3-(methylamino)propyl]-2-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 165402295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).