6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine

C17H19N5O — CID 11438288

IUPAC6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C
InChIInChI=1S/C17H19N5O/c1-9(2)23-16-14-15(21-17(18)22-16)19-8-13(20-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyMXMLDUUOFYSLRN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.07
Rot. Bonds3

About 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine

6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine (PubChem CID 11438288) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine
PubChem CID11438288
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine
SMILESCc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C
InChIInChI=1S/C17H19N5O/c1-9(2)23-16-14-15(21-17(18)22-16)19-8-13(20-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,18,19,21,22)
InChIKeyMXMLDUUOFYSLRN-UHFFFAOYSA-N
XLogP3.07
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine (CID 11438288) is 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine is Cc1ccc(-c2cnc3nc(N)nc(OC(C)C)c3n2)cc1C.
What is the InChIKey of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine?
The InChIKey is MXMLDUUOFYSLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9(2)23-16-14-15(21-17(18)22-16)19-8-13(20-14)12-6-5-10(3)11(4)7-12/h5-9H,1-4H3,(H2,18,19,21,22).
What are the key properties of 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine?
6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine has a molecular weight of 309.37 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-4-propan-2-yloxypteridin-2-amine is sourced from PubChem (CID 11438288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).