5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine

C19H19F2N5O — CID 145295718

IUPAC5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine
SMILESCOc1cccc(C2(Nc3ncc(C4=NN=C(C(F)F)C4)cn3)CCC2)c1
InChIInChI=1S/C19H19F2N5O/c1-27-14-5-2-4-13(8-14)19(6-3-7-19)24-18-22-10-12(11-23-18)15-9-16(17(20)21)26-25-15/h2,4-5,8,10-11,17H,3,6-7,9H2,1H3,(H,22,23,24)
InChIKeyAJUDAKXORKVECT-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.79
Rot. Bonds6

About 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine

5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine (PubChem CID 145295718) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine
PubChem CID145295718
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine
SMILESCOc1cccc(C2(Nc3ncc(C4=NN=C(C(F)F)C4)cn3)CCC2)c1
InChIInChI=1S/C19H19F2N5O/c1-27-14-5-2-4-13(8-14)19(6-3-7-19)24-18-22-10-12(11-23-18)15-9-16(17(20)21)26-25-15/h2,4-5,8,10-11,17H,3,6-7,9H2,1H3,(H,22,23,24)
InChIKeyAJUDAKXORKVECT-UHFFFAOYSA-N
XLogP3.79
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine 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-[[1-(3-methoxyphenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 129032992
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569
N-[1-(4-methoxyphenyl)cyclobutyl]-5-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129033052
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 129032895
N-[1-(3-bromophenyl)cyclobutyl]pyrimidin-2-amine
CID 175322826
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
1-[3-(3-methoxyphenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875841
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[3-(4-fluorophenyl)phenyl]cyclopropyl]pyrimidin-2-amine
CID 135320997
3-[[1-(3-methoxyphenyl)cyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 154870795
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine (CID 145295718) is 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine is COc1cccc(C2(Nc3ncc(C4=NN=C(C(F)F)C4)cn3)CCC2)c1.
What is the InChIKey of 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine?
The InChIKey is AJUDAKXORKVECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-27-14-5-2-4-13(8-14)19(6-3-7-19)24-18-22-10-12(11-23-18)15-9-16(17(20)21)26-25-15/h2,4-5,8,10-11,17H,3,6-7,9H2,1H3,(H,22,23,24).
What are the key properties of 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine?
5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine has a molecular weight of 371.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-4H-pyrazol-3-yl]-N-[1-(3-methoxyphenyl)cyclobutyl]pyrimidin-2-amine is sourced from PubChem (CID 145295718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).