6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine

C12H21N5O — CID 83026987

IUPAC6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NN2CCOCC2)c1CC
InChIInChI=1S/C12H21N5O/c1-3-10-11(13-4-2)14-9-15-12(10)16-17-5-7-18-8-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyWGFDFJWFDMTXLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.13
Rot. Bonds5

About 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine

6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine (PubChem CID 83026987) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine
PubChem CID83026987
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NN2CCOCC2)c1CC
InChIInChI=1S/C12H21N5O/c1-3-10-11(13-4-2)14-9-15-12(10)16-17-5-7-18-8-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyWGFDFJWFDMTXLC-UHFFFAOYSA-N
XLogP1.13
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine (CID 83026987) is 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine is CCNc1ncnc(NN2CCOCC2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine?
The InChIKey is WGFDFJWFDMTXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-10-11(13-4-2)14-9-15-12(10)16-17-5-7-18-8-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine has a molecular weight of 251.33 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-morpholin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 83026987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).