2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine

C24H24N6O2 — CID 167666790

IUPAC2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
SMILESCOCCOc1ccc(Cc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17-4-3-5-20(27-17)24-26-13-11-22(30-24)28-21-10-12-25-23(29-21)16-18-6-8-19(9-7-18)32-15-14-31-2/h3-13H,14-16H2,1-2H3,(H,25,26,28,29,30)
InChIKeySTIPVUSLWCNBDL-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.00
Rot. Bonds9

About 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine

2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine (PubChem CID 167666790) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
PubChem CID167666790
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine
SMILESCOCCOc1ccc(Cc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-17-4-3-5-20(27-17)24-26-13-11-22(30-24)28-21-10-12-25-23(29-21)16-18-6-8-19(9-7-18)32-15-14-31-2/h3-13H,14-16H2,1-2H3,(H,25,26,28,29,30)
InChIKeySTIPVUSLWCNBDL-UHFFFAOYSA-N
XLogP4.00
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine (CID 167666790) is 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine is COCCOc1ccc(Cc2nccc(Nc3ccnc(-c4cccc(C)n4)n3)n2)cc1.
What is the InChIKey of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine?
The InChIKey is STIPVUSLWCNBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-17-4-3-5-20(27-17)24-26-13-11-22(30-24)28-21-10-12-25-23(29-21)16-18-6-8-19(9-7-18)32-15-14-31-2/h3-13H,14-16H2,1-2H3,(H,25,26,28,29,30).
What are the key properties of 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine?
2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine has a molecular weight of 428.50 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methoxyethoxy)phenyl]methyl]-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 167666790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).