2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine

C12H22N4O — CID 80984730

IUPAC2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)CCCOC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-14-11(13)9(2)12(15-10)16(3)7-6-8-17-4/h5-8H2,1-4H3,(H2,13,14,15)
InChIKeyLIHCWMDMDMMLGV-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.40
Rot. Bonds6

About 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine

2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80984730) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80984730
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(N(C)CCCOC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-14-11(13)9(2)12(15-10)16(3)7-6-8-17-4/h5-8H2,1-4H3,(H2,13,14,15)
InChIKeyLIHCWMDMDMMLGV-UHFFFAOYSA-N
XLogP1.40
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80993286
4-N-(2-ethoxyethyl)-2-ethyl-4-N,5-dimethylpyrimidine-4,6-diamine
CID 81067549
2-ethyl-4-N,4-N-bis(2-methoxyethyl)-5-methylpyrimidine-4,6-diamine
CID 80987431
2-ethyl-4-N,5-dimethyl-4-N-(2-methylsulfanylethyl)pyrimidine-4,6-diamine
CID 112667604
2-ethyl-6-hydrazinyl-N-(2-methoxyethyl)-N,5-dimethylpyrimidin-4-amine
CID 80994434
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80984282
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80994071
2-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80987749
2-cyclopropyl-6-N-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80984884
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
2-ethyl-4-N-[(2-fluorophenyl)methyl]-4-N,5-dimethylpyrimidine-4,6-diamine
CID 80987779
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80982333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine (CID 80984730) is 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine is CCc1nc(N)c(C)c(N(C)CCCOC)n1.
What is the InChIKey of 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is LIHCWMDMDMMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-14-11(13)9(2)12(15-10)16(3)7-6-8-17-4/h5-8H2,1-4H3,(H2,13,14,15).
What are the key properties of 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(3-methoxypropyl)-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80984730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).