N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine

C21H18N6 — CID 4193543

IUPACN-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccncc3)n2)nc1
InChIInChI=1S/C21H18N6/c1-15-12-23-20(24-13-15)14-25-19-11-18(16-5-3-2-4-6-16)26-21(27-19)17-7-9-22-10-8-17/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyXCYJXGREMGRASS-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.92
Rot. Bonds5

About N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine

N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 4193543) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID4193543
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccncc3)n2)nc1
InChIInChI=1S/C21H18N6/c1-15-12-23-20(24-13-15)14-25-19-11-18(16-5-3-2-4-6-16)26-21(27-19)17-7-9-22-10-8-17/h2-13H,14H2,1H3,(H,25,26,27)
InChIKeyXCYJXGREMGRASS-UHFFFAOYSA-N
XLogP3.92
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine (CID 4193543) is N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine is Cc1cnc(CNc2cc(-c3ccccc3)nc(-c3ccncc3)n2)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is XCYJXGREMGRASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-15-12-23-20(24-13-15)14-25-19-11-18(16-5-3-2-4-6-16)26-21(27-19)17-7-9-22-10-8-17/h2-13H,14H2,1H3,(H,25,26,27).
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine?
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 354.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 4193543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).