4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine

C8H15N5O — CID 19135072

IUPAC4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NCCOC)c1N
InChIInChI=1S/C8H15N5O/c1-10-7-6(9)8(13-5-12-7)11-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyXUTMDFHRHXEMHK-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.16
Rot. Bonds5

About 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine

4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine (PubChem CID 19135072) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
PubChem CID19135072
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
SMILESCNc1ncnc(NCCOC)c1N
InChIInChI=1S/C8H15N5O/c1-10-7-6(9)8(13-5-12-7)11-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyXUTMDFHRHXEMHK-UHFFFAOYSA-N
XLogP0.16
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19150351
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
4-N-cyclohexyl-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19135849
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523
3-[[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141479
6-N-(2-methoxyethyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542825
4-N-(5-chloro-2-methylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 22547276
N'-[5-amino-6-(2-methoxyethylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19150448
4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138606

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine (CID 19135072) is 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine is CNc1ncnc(NCCOC)c1N.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine?
The InChIKey is XUTMDFHRHXEMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-10-7-6(9)8(13-5-12-7)11-3-4-14-2/h5H,3-4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine?
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine has a molecular weight of 197.24 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19135072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).