4-morpholin-4-ylpyrimidin-5-amine

C8H12N4O — CID 79910418

IUPAC4-morpholin-4-ylpyrimidin-5-amine
SMILESNc1cncnc1N1CCOCC1
InChIInChI=1S/C8H12N4O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4,9H2
InChIKeyKMNUOPNNQCNELW-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.10
Rot. Bonds1

About 4-morpholin-4-ylpyrimidin-5-amine

4-morpholin-4-ylpyrimidin-5-amine (PubChem CID 79910418) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-morpholin-4-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-morpholin-4-ylpyrimidin-5-amine
PubChem CID79910418
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-morpholin-4-ylpyrimidin-5-amine
SMILESNc1cncnc1N1CCOCC1
InChIInChI=1S/C8H12N4O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4,9H2
InChIKeyKMNUOPNNQCNELW-UHFFFAOYSA-N
XLogP-0.10
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylpyrimidin-5-amine?
The IUPAC name of 4-morpholin-4-ylpyrimidin-5-amine (CID 79910418) is 4-morpholin-4-ylpyrimidin-5-amine.
What is the SMILES notation for 4-morpholin-4-ylpyrimidin-5-amine?
The canonical SMILES for 4-morpholin-4-ylpyrimidin-5-amine is Nc1cncnc1N1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylpyrimidin-5-amine?
The InChIKey is KMNUOPNNQCNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-5-10-6-11-8(7)12-1-3-13-4-2-12/h5-6H,1-4,9H2.
What are the key properties of 4-morpholin-4-ylpyrimidin-5-amine?
4-morpholin-4-ylpyrimidin-5-amine has a molecular weight of 180.21 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylpyrimidin-5-amine is sourced from PubChem (CID 79910418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).