5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine

C12H14N6O — CID 53326637

IUPAC5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
InChIKeyWCSNDONKXWSCEI-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.35
Rot. Bonds2

About 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine

5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine (PubChem CID 53326637) has the molecular formula C12H14N6O and a molecular weight of 258.29 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
PubChem CID53326637
Molecular FormulaC12H14N6O
Molecular Weight258.29 g/mol
Exact Mass258.12
IUPAC Name5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccnc(N3CCOCC3)n2)cn1
InChIInChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16)
InChIKeyWCSNDONKXWSCEI-UHFFFAOYSA-N
XLogP0.35
TPSA90.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine (CID 53326637) is 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine is Nc1ncc(-c2ccnc(N3CCOCC3)n2)cn1.
What is the InChIKey of 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
The InChIKey is WCSNDONKXWSCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O/c13-11-15-7-9(8-16-11)10-1-2-14-12(17-10)18-3-5-19-6-4-18/h1-2,7-8H,3-6H2,(H2,13,15,16).
What are the key properties of 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine?
5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine has a molecular weight of 258.29 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylpyrimidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 53326637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).