2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

C22H20N6O — CID 118249298

IUPAC2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1
InChIInChI=1S/C22H20N6O/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20/h4-13H,1-3H3,(H,23,24,27,28)
InChIKeyHUAXDWRNIPVTQS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.79
Rot. Bonds5

About 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine

2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (PubChem CID 118249298) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
PubChem CID118249298
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine
SMILESCc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1
InChIInChI=1S/C22H20N6O/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20/h4-13H,1-3H3,(H,23,24,27,28)
InChIKeyHUAXDWRNIPVTQS-UHFFFAOYSA-N
XLogP4.79
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.79
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-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine (CID 118249298) is 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is Cc1ccc(Oc2cc(-c3ccnc(Nc4ccnc(C)n4)c3)cnc2C)nc1.
What is the InChIKey of 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
The InChIKey is HUAXDWRNIPVTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c1-14-4-5-22(26-12-14)29-19-10-18(13-25-15(19)2)17-6-8-24-21(11-17)28-20-7-9-23-16(3)27-20/h4-13H,1-3H3,(H,23,24,27,28).
What are the key properties of 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine?
2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine has a molecular weight of 384.44 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[6-methyl-5-[(5-methyl-2-pyridinyl)oxy]-3-pyridinyl]-2-pyridinyl]pyrimidin-4-amine is sourced from PubChem (CID 118249298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).