5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine

C9H18N6 — CID 21483297

IUPAC5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine
SMILESCCN(CC)c1c(N)nc(N)nc1NC
InChIInChI=1S/C9H18N6/c1-4-15(5-2)6-7(10)13-9(11)14-8(6)12-3/h4-5H2,1-3H3,(H5,10,11,12,13,14)
InChIKeyLUTRPDTYQJSAFB-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.53
Rot. Bonds4

About 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine

5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine (PubChem CID 21483297) has the molecular formula C9H18N6 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine.

Molecular Properties

Compound Name5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine
PubChem CID21483297
Molecular FormulaC9H18N6
Molecular Weight210.28 g/mol
Exact Mass210.16
IUPAC Name5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine
SMILESCCN(CC)c1c(N)nc(N)nc1NC
InChIInChI=1S/C9H18N6/c1-4-15(5-2)6-7(10)13-9(11)14-8(6)12-3/h4-5H2,1-3H3,(H5,10,11,12,13,14)
InChIKeyLUTRPDTYQJSAFB-UHFFFAOYSA-N
XLogP0.53
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine?
The IUPAC name of 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine (CID 21483297) is 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine.
What is the SMILES notation for 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine?
The canonical SMILES for 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine is CCN(CC)c1c(N)nc(N)nc1NC.
What is the InChIKey of 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine?
The InChIKey is LUTRPDTYQJSAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6/c1-4-15(5-2)6-7(10)13-9(11)14-8(6)12-3/h4-5H2,1-3H3,(H5,10,11,12,13,14).
What are the key properties of 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine?
5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine has a molecular weight of 210.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-diethyl-4-N-methylpyrimidine-2,4,5,6-tetramine is sourced from PubChem (CID 21483297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).