5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine

C13H11N5O — CID 69056314

IUPAC5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(-c3cnco3)cc2)c(N)n1
InChIInChI=1S/C13H11N5O/c14-12-10(5-17-13(15)18-12)8-1-3-9(4-2-8)11-6-16-7-19-11/h1-7H,(H4,14,15,17,18)
InChIKeyRWGQNWGOXQMEBH-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.96
Rot. Bonds2

About 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine

5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (PubChem CID 69056314) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
PubChem CID69056314
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2ccc(-c3cnco3)cc2)c(N)n1
InChIInChI=1S/C13H11N5O/c14-12-10(5-17-13(15)18-12)8-1-3-9(4-2-8)11-6-16-7-19-11/h1-7H,(H4,14,15,17,18)
InChIKeyRWGQNWGOXQMEBH-UHFFFAOYSA-N
XLogP1.96
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine (CID 69056314) is 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is Nc1ncc(-c2ccc(-c3cnco3)cc2)c(N)n1.
What is the InChIKey of 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is RWGQNWGOXQMEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c14-12-10(5-17-13(15)18-12)8-1-3-9(4-2-8)11-6-16-7-19-11/h1-7H,(H4,14,15,17,18).
What are the key properties of 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine?
5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 253.27 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-oxazol-5-yl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 69056314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).