4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

C18H15F3N6O — CID 148696385

IUPAC4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Nc3cc(C4C5CC54)[nH]n3)ncn2)cc1
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)28-10-3-1-9(2-4-10)24-14-7-15(23-8-22-14)25-16-6-13(26-27-16)17-11-5-12(11)17/h1-4,6-8,11-12,17H,5H2,(H3,22,23,24,25,26,27)
InChIKeyNUMOCIFZPHNYIL-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.32
Rot. Bonds6

About 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 148696385) has the molecular formula C18H15F3N6O and a molecular weight of 388.35 g/mol. Its IUPAC name is 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID148696385
Molecular FormulaC18H15F3N6O
Molecular Weight388.35 g/mol
Exact Mass388.13
IUPAC Name4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESFC(F)(F)Oc1ccc(Nc2cc(Nc3cc(C4C5CC54)[nH]n3)ncn2)cc1
InChIInChI=1S/C18H15F3N6O/c19-18(20,21)28-10-3-1-9(2-4-10)24-14-7-15(23-8-22-14)25-16-6-13(26-27-16)17-11-5-12(11)17/h1-4,6-8,11-12,17H,5H2,(H3,22,23,24,25,26,27)
InChIKeyNUMOCIFZPHNYIL-UHFFFAOYSA-N
XLogP4.32
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-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-(4-phenoxyphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 171989336
6-[4-(2-aminoethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 166112975
N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]methanesulfonamide
CID 42628828
6-(4-piperidin-1-ylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 42635096
6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 117091899
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
2,3-dimethyl-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 174488015
6-(4-propylsulfonylphenyl)-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 68628098
N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044
N-(oxolan-2-ylmethyl)-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983005
5,6-dihydroxy-N-[2-[2-[2-[[3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzoyl]amino]ethoxy]ethoxy]ethyl]bicyclo[2.2.0]hexane-2-carboxamide
CID 123291206
3-methyl-N-[4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]butanamide
CID 143814531

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 148696385) is 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is FC(F)(F)Oc1ccc(Nc2cc(Nc3cc(C4C5CC54)[nH]n3)ncn2)cc1.
What is the InChIKey of 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is NUMOCIFZPHNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O/c19-18(20,21)28-10-3-1-9(2-4-10)24-14-7-15(23-8-22-14)25-16-6-13(26-27-16)17-11-5-12(11)17/h1-4,6-8,11-12,17H,5H2,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 388.35 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(2-bicyclo[1.1.0]butanyl)-1H-pyrazol-3-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 148696385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).