4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

C12H22N4O — CID 80933354

IUPAC4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCCNc1cc(NC)nc(CC)n1
InChIInChI=1S/C12H22N4O/c1-4-10-15-11(13-3)9-12(16-10)14-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLFEDTDHFYGIQMD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds8

About 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80933354) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80933354
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCCNc1cc(NC)nc(CC)n1
InChIInChI=1S/C12H22N4O/c1-4-10-15-11(13-3)9-12(16-10)14-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLFEDTDHFYGIQMD-UHFFFAOYSA-N
XLogP1.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]hexan-1-ol
CID 114009544
5-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 107324238
2-ethyl-6-hydrazinyl-N-(3-propoxypropyl)pyrimidin-4-amine
CID 82947715
2-(ethoxymethyl)-4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 113401288
2-tert-butyl-4-N-(2-ethoxyethyl)-6-N-methylpyrimidine-4,6-diamine
CID 80966986
N-[3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332284
6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]propane-1-sulfonamide
CID 80934884
4-N-[2-(dimethylamino)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933851
2-tert-butyl-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80967735
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,6-diamine
CID 80946334

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80933354) is 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is CCOCCCNc1cc(NC)nc(CC)n1.
What is the InChIKey of 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LFEDTDHFYGIQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10-15-11(13-3)9-12(16-10)14-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-ethoxypropyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80933354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).