2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine

C18H19F3N6 — CID 175150637

IUPAC2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(N)c(N)n2)cc1
InChIInChI=1S/C18H19F3N6/c1-10(2)27-9-14(18(19,20)21)25-17(27)12-5-3-11(4-6-12)7-15-24-8-13(22)16(23)26-15/h3-6,8-10H,7,22H2,1-2H3,(H2,23,24,26)
InChIKeyACEPUPJQRPPZOK-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.69
Rot. Bonds4

About 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine

2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine (PubChem CID 175150637) has the molecular formula C18H19F3N6 and a molecular weight of 376.39 g/mol. Its IUPAC name is 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine
PubChem CID175150637
Molecular FormulaC18H19F3N6
Molecular Weight376.39 g/mol
Exact Mass376.16
IUPAC Name2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(N)c(N)n2)cc1
InChIInChI=1S/C18H19F3N6/c1-10(2)27-9-14(18(19,20)21)25-17(27)12-5-3-11(4-6-12)7-15-24-8-13(22)16(23)26-15/h3-6,8-10H,7,22H2,1-2H3,(H2,23,24,26)
InChIKeyACEPUPJQRPPZOK-UHFFFAOYSA-N
XLogP3.69
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-methyl-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-amine
CID 175531945
2-[2-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidin-5-yl]pyrimidin-4-amine
CID 174189497
N-(3-aminopropyl)-N'-methyl-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]methanimidamide
CID 178172042
2-chloro-4-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methylamino]pyrimidine-5-carboxylic acid
CID 170973158
2-chloro-9-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-N-(1,2,2-trifluoroethyl)purin-8-amine
CID 175510619
4-N,4-N-dimethyl-2-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-N-prop-2-ynyl-1,3,5-triazine-2,4-diamine
CID 178172313
methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 177004636
2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 177377969
4-morpholin-4-yl-N-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]but-2-yn-1-amine
CID 178171952
6-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]pyridine-3-carbonitrile
CID 177181228
6-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-cyclopropyl-1-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 171781742
N,N-dimethyl-1-[3-methyl-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanamine;ethane
CID 177140943

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine (CID 175150637) is 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cc2ncc(N)c(N)n2)cc1.
What is the InChIKey of 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine?
The InChIKey is ACEPUPJQRPPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N6/c1-10(2)27-9-14(18(19,20)21)25-17(27)12-5-3-11(4-6-12)7-15-24-8-13(22)16(23)26-15/h3-6,8-10H,7,22H2,1-2H3,(H2,23,24,26).
What are the key properties of 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine?
2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine has a molecular weight of 376.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 175150637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).