N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine

C22H21N5 — CID 46990087

IUPACN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCc1cccc(-c2ncc(CNCc3cc(-c4ccccc4)n[nH]3)cn2)c1
InChIInChI=1S/C22H21N5/c1-16-6-5-9-19(10-16)22-24-13-17(14-25-22)12-23-15-20-11-21(27-26-20)18-7-3-2-4-8-18/h2-11,13-14,23H,12,15H2,1H3,(H,26,27)
InChIKeyXNOUQKPYSKEBNC-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.13
Rot. Bonds6

About N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine

N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (PubChem CID 46990087) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
PubChem CID46990087
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
SMILESCc1cccc(-c2ncc(CNCc3cc(-c4ccccc4)n[nH]3)cn2)c1
InChIInChI=1S/C22H21N5/c1-16-6-5-9-19(10-16)22-24-13-17(14-25-22)12-23-15-20-11-21(27-26-20)18-7-3-2-4-8-18/h2-11,13-14,23H,12,15H2,1H3,(H,26,27)
InChIKeyXNOUQKPYSKEBNC-UHFFFAOYSA-N
XLogP4.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 46990847
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
CID 121405389
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
N-[[3-(3-bromophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 62112177
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
N-[[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 43839988

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine (CID 46990087) is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is Cc1cccc(-c2ncc(CNCc3cc(-c4ccccc4)n[nH]3)cn2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
The InChIKey is XNOUQKPYSKEBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-16-6-5-9-19(10-16)22-24-13-17(14-25-22)12-23-15-20-11-21(27-26-20)18-7-3-2-4-8-18/h2-11,13-14,23H,12,15H2,1H3,(H,26,27).
What are the key properties of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine?
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine has a molecular weight of 355.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 46990087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).