N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

C15H15N5 — CID 62747530

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1nccc(CNc2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C15H15N5/c1-11-16-7-5-14(19-11)10-17-13-4-2-3-12(9-13)15-6-8-18-20-15/h2-9,17H,10H2,1H3,(H,18,20)
InChIKeyWNOKTXPHYSUZAF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.79
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline

N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (PubChem CID 62747530) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
PubChem CID62747530
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
SMILESCc1nccc(CNc2cccc(-c3ccn[nH]3)c2)n1
InChIInChI=1S/C15H15N5/c1-11-16-7-5-14(19-11)10-17-13-4-2-3-12(9-13)15-6-8-18-20-15/h2-9,17H,10H2,1H3,(H,18,20)
InChIKeyWNOKTXPHYSUZAF-UHFFFAOYSA-N
XLogP2.79
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-2-pyridinyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 81313287
3-bromo-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62747500
N-[(2-methylpyrimidin-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62748416
N-[(1-methyltriazol-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62755251
N-[(2,6-dichlorophenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745380
6-methyl-2-[[3-(1H-pyrazol-5-yl)anilino]methyl]pyridin-3-ol
CID 79156971
N-(2-methylpropyl)-3-(1H-pyrazol-5-yl)aniline
CID 43745359
N-[(5-fluoro-2-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 103947437
N-[(4-fluoro-3-methylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62121809
N-[(4-methylsulfanylphenyl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 43745309
N-[(5-ethylthiophen-2-yl)methyl]-3-(1H-pyrazol-5-yl)aniline
CID 62346092
2-methyl-4-[[3-(sulfamoylamino)anilino]methyl]pyrimidine
CID 62749480

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline (CID 62747530) is N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is Cc1nccc(CNc2cccc(-c3ccn[nH]3)c2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
The InChIKey is WNOKTXPHYSUZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-11-16-7-5-14(19-11)10-17-13-4-2-3-12(9-13)15-6-8-18-20-15/h2-9,17H,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline?
N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline has a molecular weight of 265.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-3-(1H-pyrazol-5-yl)aniline is sourced from PubChem (CID 62747530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).