2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C15H21N5O2 — CID 3234854

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H21N5O2/c1-11-14(12(2)22-19-11)15-17-4-3-13(18-15)16-5-6-20-7-9-21-10-8-20/h3-4H,5-10H2,1-2H3,(H,16,17,18)
InChIKeyKXIVJUPKORJYNH-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.49
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 3234854) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID3234854
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCc1noc(C)c1-c1nccc(NCCN2CCOCC2)n1
InChIInChI=1S/C15H21N5O2/c1-11-14(12(2)22-19-11)15-17-4-3-13(18-15)16-5-6-20-7-9-21-10-8-20/h3-4H,5-10H2,1-2H3,(H,16,17,18)
InChIKeyKXIVJUPKORJYNH-UHFFFAOYSA-N
XLogP1.49
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 3234854) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cc1noc(C)c1-c1nccc(NCCN2CCOCC2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is KXIVJUPKORJYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-14(12(2)22-19-11)15-17-4-3-13(18-15)16-5-6-20-7-9-21-10-8-20/h3-4H,5-10H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3234854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).