2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

C23H22N6O — CID 118249114

IUPAC2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cncc(C(C)OCc4ccccn4)c3)ccn2)n1
InChIInChI=1S/C23H22N6O/c1-16(30-15-21-5-3-4-8-26-21)19-11-20(14-24-13-19)18-6-9-27-23(12-18)29-22-7-10-25-17(2)28-22/h3-14,16H,15H2,1-2H3,(H,25,27,28,29)
InChIKeyDQETUPUHKMXPDK-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.66
Rot. Bonds7

About 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 118249114) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
PubChem CID118249114
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCc1nccc(Nc2cc(-c3cncc(C(C)OCc4ccccn4)c3)ccn2)n1
InChIInChI=1S/C23H22N6O/c1-16(30-15-21-5-3-4-8-26-21)19-11-20(14-24-13-19)18-6-9-27-23(12-18)29-22-7-10-25-17(2)28-22/h3-14,16H,15H2,1-2H3,(H,25,27,28,29)
InChIKeyDQETUPUHKMXPDK-UHFFFAOYSA-N
XLogP4.66
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (CID 118249114) is 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is Cc1nccc(Nc2cc(-c3cncc(C(C)OCc4ccccn4)c3)ccn2)n1.
What is the InChIKey of 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is DQETUPUHKMXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-16(30-15-21-5-3-4-8-26-21)19-11-20(14-24-13-19)18-6-9-27-23(12-18)29-22-7-10-25-17(2)28-22/h3-14,16H,15H2,1-2H3,(H,25,27,28,29).
What are the key properties of 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 398.47 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[5-[1-(pyridin-2-ylmethoxy)ethyl]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 118249114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).