2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine

C26H23N5 — CID 123397851

IUPAC2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCn1cc(-c2cccc(CCc3nc(N)cc(-c4ccc5ccccc5c4)n3)c2)cn1
InChIInChI=1S/C26H23N5/c1-31-17-23(16-28-31)20-8-4-5-18(13-20)9-12-26-29-24(15-25(27)30-26)22-11-10-19-6-2-3-7-21(19)14-22/h2-8,10-11,13-17H,9,12H2,1H3,(H2,27,29,30)
InChIKeyYQZLJOVGQQUWCK-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.06
Rot. Bonds5

About 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine

2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine (PubChem CID 123397851) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine
PubChem CID123397851
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCn1cc(-c2cccc(CCc3nc(N)cc(-c4ccc5ccccc5c4)n3)c2)cn1
InChIInChI=1S/C26H23N5/c1-31-17-23(16-28-31)20-8-4-5-18(13-20)9-12-26-29-24(15-25(27)30-26)22-11-10-19-6-2-3-7-21(19)14-22/h2-8,10-11,13-17H,9,12H2,1H3,(H2,27,29,30)
InChIKeyYQZLJOVGQQUWCK-UHFFFAOYSA-N
XLogP5.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylpyrazol-4-yl)-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 106715564
2-methyl-5-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
CID 123794152
[3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033657
2-[(2-methylphenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715725
N-methyl-2-[3-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 24963506
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
6-(1-methylpyrazol-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951955
5-methyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-2-amine
CID 133411690
7-(1-methylpyrazol-4-yl)isoquinoline
CID 134091205
2-(furan-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715562
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine (CID 123397851) is 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine is Cn1cc(-c2cccc(CCc3nc(N)cc(-c4ccc5ccccc5c4)n3)c2)cn1.
What is the InChIKey of 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The InChIKey is YQZLJOVGQQUWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-31-17-23(16-28-31)20-8-4-5-18(13-20)9-12-26-29-24(15-25(27)30-26)22-11-10-19-6-2-3-7-21(19)14-22/h2-8,10-11,13-17H,9,12H2,1H3,(H2,27,29,30).
What are the key properties of 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine?
2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine has a molecular weight of 405.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-naphthalen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 123397851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).