2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine

C28H24N4 — CID 129033195

IUPAC2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3cc(-c4ccc5ccccc5c4)nc(C)n3)cc2)ccn1
InChIInChI=1S/C28H24N4/c1-19-15-25(13-14-29-19)23-9-7-21(8-10-23)18-30-28-17-27(31-20(2)32-28)26-12-11-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,30,31,32)
InChIKeyNIIDVAPEIQNACW-UHFFFAOYSA-N
MW416.53 g/mol
LogP6.59
Rot. Bonds5

About 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine

2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine (PubChem CID 129033195) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
PubChem CID129033195
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine
SMILESCc1cc(-c2ccc(CNc3cc(-c4ccc5ccccc5c4)nc(C)n3)cc2)ccn1
InChIInChI=1S/C28H24N4/c1-19-15-25(13-14-29-19)23-9-7-21(8-10-23)18-30-28-17-27(31-20(2)32-28)26-12-11-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,30,31,32)
InChIKeyNIIDVAPEIQNACW-UHFFFAOYSA-N
XLogP6.59
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine (CID 129033195) is 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine is Cc1cc(-c2ccc(CNc3cc(-c4ccc5ccccc5c4)nc(C)n3)cc2)ccn1.
What is the InChIKey of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
The InChIKey is NIIDVAPEIQNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-19-15-25(13-14-29-19)23-9-7-21(8-10-23)18-30-28-17-27(31-20(2)32-28)26-12-11-22-5-3-4-6-24(22)16-26/h3-17H,18H2,1-2H3,(H,30,31,32).
What are the key properties of 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine?
2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine has a molecular weight of 416.53 g/mol, XLogP of 6.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-naphthalen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 129033195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).