4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

C12H22N4O — CID 80771977

IUPAC4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCCNc1ncnc(NC)c1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(13-3)15-9-16-12(10)14-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLYWSZKOTIOGMAJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.92
Rot. Bonds8

About 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine

4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80771977) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80771977
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCOCCCNc1ncnc(NC)c1CC
InChIInChI=1S/C12H22N4O/c1-4-10-11(13-3)15-9-16-12(10)14-7-6-8-17-5-2/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyLYWSZKOTIOGMAJ-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'}

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Related Compounds

5-bromo-4-N-(3-ethoxypropyl)-6-N-ethylpyrimidine-4,6-diamine
CID 114071942
N-(3-ethoxypropyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80943910
4-N-(2-butoxyethyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80819264
3,5-dichloro-6-N-(3-ethoxypropyl)-2-N-methylpyridine-2,6-diamine
CID 102755734
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
4-N-(3-ethoxypropyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981884
5-bromo-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 66343219
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
2-[3-[(6-chloro-5-ethylpyrimidin-4-yl)amino]propoxy]ethanol
CID 106311213
4-N-(4-methoxybutyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80812797
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
6-ethyl-5-fluoro-N-(3-propoxypropyl)pyrimidin-4-amine
CID 114045642

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine (CID 80771977) is 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is CCOCCCNc1ncnc(NC)c1CC.
What is the InChIKey of 4-N-(3-ethoxypropyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is LYWSZKOTIOGMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-10-11(13-3)15-9-16-12(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)-5-ethyl-6-N-methylpyrimidine-4,6-diamine?
4-N-(3-ethoxypropyl)-5-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)-5-ethyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80771977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).