4-N-morpholin-4-ylpyrimidine-2,4,6-triamine

C8H14N6O — CID 83027555

IUPAC4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1cc(NN2CCOCC2)nc(N)n1
InChIInChI=1S/C8H14N6O/c9-6-5-7(12-8(10)11-6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H5,9,10,11,12,13)
InChIKeyGCRVLVVTPQRMQU-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.70
Rot. Bonds2

About 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine

4-N-morpholin-4-ylpyrimidine-2,4,6-triamine (PubChem CID 83027555) has the molecular formula C8H14N6O and a molecular weight of 210.24 g/mol. Its IUPAC name is 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
PubChem CID83027555
Molecular FormulaC8H14N6O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name4-N-morpholin-4-ylpyrimidine-2,4,6-triamine
SMILESNc1cc(NN2CCOCC2)nc(N)n1
InChIInChI=1S/C8H14N6O/c9-6-5-7(12-8(10)11-6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H5,9,10,11,12,13)
InChIKeyGCRVLVVTPQRMQU-UHFFFAOYSA-N
XLogP-0.70
TPSA102.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine (CID 83027555) is 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine is Nc1cc(NN2CCOCC2)nc(N)n1.
What is the InChIKey of 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine?
The InChIKey is GCRVLVVTPQRMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O/c9-6-5-7(12-8(10)11-6)13-14-1-3-15-4-2-14/h5H,1-4H2,(H5,9,10,11,12,13).
What are the key properties of 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine?
4-N-morpholin-4-ylpyrimidine-2,4,6-triamine has a molecular weight of 210.24 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-morpholin-4-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 83027555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).