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

C19H17N5O — CID 56849556

IUPACN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2C)cn1
InChIInChI=1S/C19H17N5O/c1-12-9-14(24-19-18-16(7-8-20-18)22-11-23-19)4-6-17(12)25-15-5-3-13(2)21-10-15/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeySZVAKAGCAKQORO-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.51
Rot. Bonds4

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

N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 56849556) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID56849556
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2C)cn1
InChIInChI=1S/C19H17N5O/c1-12-9-14(24-19-18-16(7-8-20-18)22-11-23-19)4-6-17(12)25-15-5-3-13(2)21-10-15/h3-11,20H,1-2H3,(H,22,23,24)
InChIKeySZVAKAGCAKQORO-UHFFFAOYSA-N
XLogP4.51
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine (CID 56849556) is N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is Cc1ccc(Oc2ccc(Nc3ncnc4cc[nH]c34)cc2C)cn1.
What is the InChIKey of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is SZVAKAGCAKQORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-9-14(24-19-18-16(7-8-20-18)22-11-23-19)4-6-17(12)25-15-5-3-13(2)21-10-15/h3-11,20H,1-2H3,(H,22,23,24).
What are the key properties of N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine?
N-[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 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56849556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).