4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine

C13H22N4 — CID 112727442

IUPAC4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC1CCCCC1Nc1cc(C)nc(N)n1
InChIInChI=1S/C13H22N4/c1-3-10-6-4-5-7-11(10)16-12-8-9(2)15-13(14)17-12/h8,10-11H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyRDAHQFBUGDDODT-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.75
Rot. Bonds3

About 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine

4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 112727442) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
PubChem CID112727442
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine
SMILESCCC1CCCCC1Nc1cc(C)nc(N)n1
InChIInChI=1S/C13H22N4/c1-3-10-6-4-5-7-11(10)16-12-8-9(2)15-13(14)17-12/h8,10-11H,3-7H2,1-2H3,(H3,14,15,16,17)
InChIKeyRDAHQFBUGDDODT-UHFFFAOYSA-N
XLogP2.75
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine (CID 112727442) is 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine is CCC1CCCCC1Nc1cc(C)nc(N)n1.
What is the InChIKey of 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is RDAHQFBUGDDODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-10-6-4-5-7-11(10)16-12-8-9(2)15-13(14)17-12/h8,10-11H,3-7H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine?
4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylcyclohexyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 112727442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).