2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

C19H17N5O — CID 158618752

IUPAC2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(-c3nc(N)c4[nH]ccc4n3)cc2C)cn1
InChIInChI=1S/C19H17N5O/c1-11-9-13(19-23-15-7-8-21-17(15)18(20)24-19)4-6-16(11)25-14-5-3-12(2)22-10-14/h3-10,21H,1-2H3,(H2,20,23,24)
InChIKeyHXSMKLALIQFFBO-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.01
Rot. Bonds3

About 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine

2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 158618752) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID158618752
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(-c3nc(N)c4[nH]ccc4n3)cc2C)cn1
InChIInChI=1S/C19H17N5O/c1-11-9-13(19-23-15-7-8-21-17(15)18(20)24-19)4-6-16(11)25-14-5-3-12(2)22-10-14/h3-10,21H,1-2H3,(H2,20,23,24)
InChIKeyHXSMKLALIQFFBO-UHFFFAOYSA-N
XLogP4.01
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 158618752) is 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Cc1ccc(Oc2ccc(-c3nc(N)c4[nH]ccc4n3)cc2C)cn1.
What is the InChIKey of 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is HXSMKLALIQFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-11-9-13(19-23-15-7-8-21-17(15)18(20)24-19)4-6-16(11)25-14-5-3-12(2)22-10-14/h3-10,21H,1-2H3,(H2,20,23,24).
What are the key properties of 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 158618752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).