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

C23H23N5 — CID 46990847

IUPACN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCc1cccc(-c2ncc(CNCc3ccccc3Cn3cccn3)cn2)c1
InChIInChI=1S/C23H23N5/c1-18-6-4-9-20(12-18)23-25-14-19(15-26-23)13-24-16-21-7-2-3-8-22(21)17-28-11-5-10-27-28/h2-12,14-15,24H,13,16-17H2,1H3
InChIKeyFAMRWURPWAWNMQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.99
Rot. Bonds7

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

N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (PubChem CID 46990847) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
PubChem CID46990847
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC NameN-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
SMILESCc1cccc(-c2ncc(CNCc3ccccc3Cn3cccn3)cn2)c1
InChIInChI=1S/C23H23N5/c1-18-6-4-9-20(12-18)23-25-14-19(15-26-23)13-24-16-21-7-2-3-8-22(21)17-28-11-5-10-27-28/h2-12,14-15,24H,13,16-17H2,1H3
InChIKeyFAMRWURPWAWNMQ-UHFFFAOYSA-N
XLogP3.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
2-methyl-1-[(3-methylphenyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111850782
N-[(2-bromophenyl)methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 55464118
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]methanamine
CID 46993388
1-(3-methylphenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 63311574
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
2-(2-methoxy-4-methylphenoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 31953409
1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
1-[2-(3-methylphenyl)pyrimidin-5-yl]butan-2-amine
CID 62757551
N-[2-[[N-ethyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111852176

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine (CID 46990847) is N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is Cc1cccc(-c2ncc(CNCc3ccccc3Cn3cccn3)cn2)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
The InChIKey is FAMRWURPWAWNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-18-6-4-9-20(12-18)23-25-14-19(15-26-23)13-24-16-21-7-2-3-8-22(21)17-28-11-5-10-27-28/h2-12,14-15,24H,13,16-17H2,1H3.
What are the key properties of N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine?
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine has a molecular weight of 369.47 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 46990847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).