2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine

C23H23N5 — CID 70977905

IUPAC2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H23N5/c1-16(19-10-7-11-20(12-19)21-14-24-28(3)15-21)25-23-13-22(26-17(2)27-23)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,25,26,27)
InChIKeyZYXHTGVYFQWAJX-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.03
Rot. Bonds5

About 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine

2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine (PubChem CID 70977905) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
PubChem CID70977905
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine
SMILESCc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C23H23N5/c1-16(19-10-7-11-20(12-19)21-14-24-28(3)15-21)25-23-13-22(26-17(2)27-23)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,25,26,27)
InChIKeyZYXHTGVYFQWAJX-UHFFFAOYSA-N
XLogP5.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 447721
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CID 53355503
CID 53355503
CID 6539377
CID 6539377
CID 6539379
CID 6539379
CID 134812748
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CID 155570100
CID 155570100
CID 6918710
CID 6918710
CID 10042950
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CID 10249180
CID 10249180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine (CID 70977905) is 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine is Cc1nc(NC(C)c2cccc(-c3cnn(C)c3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
The InChIKey is ZYXHTGVYFQWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-16(19-10-7-11-20(12-19)21-14-24-28(3)15-21)25-23-13-22(26-17(2)27-23)18-8-5-4-6-9-18/h4-16H,1-3H3,(H,25,26,27).
What are the key properties of 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine?
2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine has a molecular weight of 369.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 70977905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).