2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide

C26H25F3N8O2 — CID 165401020

IUPAC2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C26H25F3N8O2/c1-30-24(38)17-11-32-22(19-20(15-8-9-15)33-13-34-25(19)39-3)36-21(17)31-10-14-4-6-16(7-5-14)23-35-18(12-37(23)2)26(27,28)29/h4-7,11-13,15H,8-10H2,1-3H3,(H,30,38)(H,31,32,36)
InChIKeyOZCGNFYIBZRSHJ-UHFFFAOYSA-N
MW538.53 g/mol
LogP4.21
Rot. Bonds8

About 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide (PubChem CID 165401020) has the molecular formula C26H25F3N8O2 and a molecular weight of 538.53 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide
PubChem CID165401020
Molecular FormulaC26H25F3N8O2
Molecular Weight538.53 g/mol
Exact Mass538.21
IUPAC Name2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C26H25F3N8O2/c1-30-24(38)17-11-32-22(19-20(15-8-9-15)33-13-34-25(19)39-3)36-21(17)31-10-14-4-6-16(7-5-14)23-35-18(12-37(23)2)26(27,28)29/h4-7,11-13,15H,8-10H2,1-3H3,(H,30,38)(H,31,32,36)
InChIKeyOZCGNFYIBZRSHJ-UHFFFAOYSA-N
XLogP4.21
TPSA119.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide 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

2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-(4-(1-methyl-4-(trifluoromethyl)-1H-imidazol-2-yl)benzyl)-7-(2,2,2-trifluoroethyl)-7,9-dihydro-8H-purin-8-imine
CID 165135384
4-amino-6-(4-(1-(2-(azetidin-1-yl)ethyl)-4-(4-fluoro-3-methoxyphenyl)-1H-imidazol-2-yl)piperidin-1-yl)pyrimidine-5-carboxamide
CID 89442679
1-[3-[7-(6-Methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68169904
4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(4-difluoromethoxy-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide
CID 89445407
4-Amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-[3-(difluoromethoxy)-4-fluorophenyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 117704729
4-Amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(3-fluoro-4-methoxyphenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 117704734
2-[2-(difluoromethoxy)pyridin-3-yl]-6-(methylamino)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 129139546
2-(2-(Cyclopropylmethoxy)pyridin-3-yl)-9-(4-(1-
CID 129139924
2-(6-Methoxy-2-
CID 129139929
2-(2-Methoxypyridin-3-yl)-9-(4-(1-methyl-4-
CID 129139937
2-[2-(difluoromethoxy)pyridin-3-yl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 129140261
2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-8-propan-2-yl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine
CID 146967641

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide (CID 165401020) is 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide is CNC(=O)c1cnc(-c2c(OC)ncnc2C2CC2)nc1NCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1.
What is the InChIKey of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide?
The InChIKey is OZCGNFYIBZRSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N8O2/c1-30-24(38)17-11-32-22(19-20(15-8-9-15)33-13-34-25(19)39-3)36-21(17)31-10-14-4-6-16(7-5-14)23-35-18(12-37(23)2)26(27,28)29/h4-7,11-13,15H,8-10H2,1-3H3,(H,30,38)(H,31,32,36).
What are the key properties of 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide?
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide has a molecular weight of 538.53 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 165401020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).