6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

C21H22F3N5O2 — CID 91800741

IUPAC6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNc1cc(C2CC2)nc(-c2nccn2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5.C2HF3O2/c1-13-5-3-4-6-15(13)12-21-17-11-16(14-7-8-14)22-18(23-17)19-20-9-10-24(19)2;3-2(4,5)1(6)7/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,22,23);(H,6,7)
InChIKeyOGLMQLWDCIKONH-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.31
Rot. Bonds5

About 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid

6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 91800741) has the molecular formula C21H22F3N5O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID91800741
Molecular FormulaC21H22F3N5O2
Molecular Weight433.43 g/mol
Exact Mass433.17
IUPAC Name6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1CNc1cc(C2CC2)nc(-c2nccn2C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5.C2HF3O2/c1-13-5-3-4-6-15(13)12-21-17-11-16(14-7-8-14)22-18(23-17)19-20-9-10-24(19)2;3-2(4,5)1(6)7/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,22,23);(H,6,7)
InChIKeyOGLMQLWDCIKONH-UHFFFAOYSA-N
XLogP4.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
Gsk-J1
CID 56963315
2-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}ethanamine
CID 118656528
3-(3-Fluorophenyl)-N-{2-[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]ethyl}propan-1-Amine
CID 118656529
3-(3-Fluorophenyl)-N-{[2-(1h-Imidazol-1-Yl)pyrimidin-4-Yl]methyl}propan-1-Amine
CID 118654390
4-[(1E,3E)-4-[1-[5-(1H-imidazol-5-yl)pentyl]-2,6-dimethylpyridin-1-ium-4-yl]buta-1,3-dienyl]-N,N-dimethylaniline;2,2,2-trifluoroacetate;2,2,2-trifluoroacetic acid
CID 156016941
5-Cyclopropyl-6-(4-(1-(2-(dimethylamino)ethyl)-4-(4-fluoro-3-(trifluoromethyl)phenyl)-1H-imidazol-2-yl)piperidin-1-yl)pyrimidin-4-amine
CID 89450700
1-[4-[8-Amino-3-(1-methylcyclopropyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 123131594
N-[(5-methylpyrazin-2-yl)methyl]-6-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 3234286
3-[[2-[(2-methylphenyl)methylamino]pyrimidin-4-yl]amino]-N-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 44528082
2-(5,6-dimethylbenzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 44529312
2-(5,6-dimethylbenzimidazol-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 44529316

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 91800741) is 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is Cc1ccccc1CNc1cc(C2CC2)nc(-c2nccn2C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is OGLMQLWDCIKONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5.C2HF3O2/c1-13-5-3-4-6-15(13)12-21-17-11-16(14-7-8-14)22-18(23-17)19-20-9-10-24(19)2;3-2(4,5)1(6)7/h3-6,9-11,14H,7-8,12H2,1-2H3,(H,21,22,23);(H,6,7).
What are the key properties of 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid?
6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 91800741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).