4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine

C12H20N4O — CID 19135875

IUPAC4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C12H20N4O/c1-2-17-12-10(13)11(14-8-15-12)16-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyIRDJVVUKWQPJTJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.20
Rot. Bonds4

About 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine

4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine (PubChem CID 19135875) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
PubChem CID19135875
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine
SMILESCCOc1ncnc(NC2CCCCC2)c1N
InChIInChI=1S/C12H20N4O/c1-2-17-12-10(13)11(14-8-15-12)16-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyIRDJVVUKWQPJTJ-UHFFFAOYSA-N
XLogP2.20
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine (CID 19135875) is 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine is CCOc1ncnc(NC2CCCCC2)c1N.
What is the InChIKey of 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
The InChIKey is IRDJVVUKWQPJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-17-12-10(13)11(14-8-15-12)16-9-6-4-3-5-7-9/h8-9H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine?
4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine has a molecular weight of 236.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-6-ethoxypyrimidine-4,5-diamine is sourced from PubChem (CID 19135875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).