N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine

C17H15N5O — CID 171350530

IUPACN-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine
SMILESCc1ccc(-n2ccc3c(Nc4cnoc4)ncnc32)cc1C
InChIInChI=1S/C17H15N5O/c1-11-3-4-14(7-12(11)2)22-6-5-15-16(18-10-19-17(15)22)21-13-8-20-23-9-13/h3-10H,1-2H3,(H,18,19,21)
InChIKeyPMKZUBKMZOBTMV-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.77
Rot. Bonds3

About N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine

N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine (PubChem CID 171350530) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine.

Molecular Properties

Compound NameN-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine
PubChem CID171350530
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC NameN-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine
SMILESCc1ccc(-n2ccc3c(Nc4cnoc4)ncnc32)cc1C
InChIInChI=1S/C17H15N5O/c1-11-3-4-14(7-12(11)2)22-6-5-15-16(18-10-19-17(15)22)21-13-8-20-23-9-13/h3-10H,1-2H3,(H,18,19,21)
InChIKeyPMKZUBKMZOBTMV-UHFFFAOYSA-N
XLogP3.77
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine?
The IUPAC name of N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine (CID 171350530) is N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine.
What is the SMILES notation for N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine?
The canonical SMILES for N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine is Cc1ccc(-n2ccc3c(Nc4cnoc4)ncnc32)cc1C.
What is the InChIKey of N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine?
The InChIKey is PMKZUBKMZOBTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-3-4-14(7-12(11)2)22-6-5-15-16(18-10-19-17(15)22)21-13-8-20-23-9-13/h3-10H,1-2H3,(H,18,19,21).
What are the key properties of N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine?
N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine has a molecular weight of 305.34 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,4-dimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1,2-oxazol-4-amine is sourced from PubChem (CID 171350530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).