4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H16N6O — CID 56919116

IUPAC4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1ncccc1Oc1ncnc(-c2cc(N)nc3[nH]ccc23)c1C
InChIInChI=1S/C18H16N6O/c1-10-16(13-8-15(19)24-17-12(13)5-7-21-17)22-9-23-18(10)25-14-4-3-6-20-11(14)2/h3-9H,1-2H3,(H3,19,21,24)
InChIKeyOSWCVMSHAMTWMN-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.41
Rot. Bonds3

About 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56919116) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56919116
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCc1ncccc1Oc1ncnc(-c2cc(N)nc3[nH]ccc23)c1C
InChIInChI=1S/C18H16N6O/c1-10-16(13-8-15(19)24-17-12(13)5-7-21-17)22-9-23-18(10)25-14-4-3-6-20-11(14)2/h3-9H,1-2H3,(H3,19,21,24)
InChIKeyOSWCVMSHAMTWMN-UHFFFAOYSA-N
XLogP3.41
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56919116) is 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is Cc1ncccc1Oc1ncnc(-c2cc(N)nc3[nH]ccc23)c1C.
What is the InChIKey of 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is OSWCVMSHAMTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-10-16(13-8-15(19)24-17-12(13)5-7-21-17)22-9-23-18(10)25-14-4-3-6-20-11(14)2/h3-9H,1-2H3,(H3,19,21,24).
What are the key properties of 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 332.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56919116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).