6-morpholin-4-ylpyrimidine-2,4-diamine

C8H13N5O — CID 13249216

IUPAC6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C8H13N5O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
InChIKeyDFSFIKNJVGWSMU-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.52
Rot. Bonds1

About 6-morpholin-4-ylpyrimidine-2,4-diamine

6-morpholin-4-ylpyrimidine-2,4-diamine (PubChem CID 13249216) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is 6-morpholin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-ylpyrimidine-2,4-diamine
PubChem CID13249216
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC Name6-morpholin-4-ylpyrimidine-2,4-diamine
SMILESNc1cc(N2CCOCC2)nc(N)n1
InChIInChI=1S/C8H13N5O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
InChIKeyDFSFIKNJVGWSMU-UHFFFAOYSA-N
XLogP-0.52
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-morpholin-4-ylpyrimidine-2,4-diamine (CID 13249216) is 6-morpholin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-ylpyrimidine-2,4-diamine is Nc1cc(N2CCOCC2)nc(N)n1.
What is the InChIKey of 6-morpholin-4-ylpyrimidine-2,4-diamine?
The InChIKey is DFSFIKNJVGWSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12).
What are the key properties of 6-morpholin-4-ylpyrimidine-2,4-diamine?
6-morpholin-4-ylpyrimidine-2,4-diamine has a molecular weight of 195.23 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 13249216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).