N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

C20H18N6O — CID 74249694

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CNc2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-16-7-5-14(6-8-16)19-15(13-24-26-19)12-23-20-22-11-9-18(25-20)17-4-2-3-10-21-17/h2-11,13H,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLWQLIBHONHKFMG-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.55
Rot. Bonds6

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 74249694) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID74249694
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCOc1ccc(-c2[nH]ncc2CNc2nccc(-c3ccccn3)n2)cc1
InChIInChI=1S/C20H18N6O/c1-27-16-7-5-14(6-8-16)19-15(13-24-26-19)12-23-20-22-11-9-18(25-20)17-4-2-3-10-21-17/h2-11,13H,12H2,1H3,(H,24,26)(H,22,23,25)
InChIKeyLWQLIBHONHKFMG-UHFFFAOYSA-N
XLogP3.55
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 74249694) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is COc1ccc(-c2[nH]ncc2CNc2nccc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is LWQLIBHONHKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c1-27-16-7-5-14(6-8-16)19-15(13-24-26-19)12-23-20-22-11-9-18(25-20)17-4-2-3-10-21-17/h2-11,13H,12H2,1H3,(H,24,26)(H,22,23,25).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 358.41 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 74249694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).