2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine

C16H28N4O2 — CID 82455786

IUPAC2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCCc1nc(NC2CCCCC2C)c(N)c(OCCOC)n1
InChIInChI=1S/C16H28N4O2/c1-4-13-19-15(18-12-8-6-5-7-11(12)2)14(17)16(20-13)22-10-9-21-3/h11-12H,4-10,17H2,1-3H3,(H,18,19,20)
InChIKeyRJRVAJLTUCNTCV-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.64
Rot. Bonds7

About 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine

2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine (PubChem CID 82455786) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
PubChem CID82455786
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
SMILESCCc1nc(NC2CCCCC2C)c(N)c(OCCOC)n1
InChIInChI=1S/C16H28N4O2/c1-4-13-19-15(18-12-8-6-5-7-11(12)2)14(17)16(20-13)22-10-9-21-3/h11-12H,4-10,17H2,1-3H3,(H,18,19,20)
InChIKeyRJRVAJLTUCNTCV-UHFFFAOYSA-N
XLogP2.64
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-methoxy-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine
CID 82455593
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
2-ethyl-6-N,5-dimethyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80981209
6-chloro-2-ethyl-5-methyl-N-(2-methylcyclohexyl)pyrimidin-4-amine
CID 80970511
6-(2-methoxyethoxy)-4-N-propan-2-yl-2-propylpyrimidine-4,5-diamine
CID 82456150
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
2-ethyl-6-N-methyl-4-N-(2-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80933606
6-hydrazinyl-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 81001589
[2-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-yl]hydrazine
CID 103408611
6-methoxy-2-N-(2-methylcyclohexyl)pyridine-2,3-diamine
CID 113286375
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine (CID 82455786) is 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine is CCc1nc(NC2CCCCC2C)c(N)c(OCCOC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine?
The InChIKey is RJRVAJLTUCNTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-13-19-15(18-12-8-6-5-7-11(12)2)14(17)16(20-13)22-10-9-21-3/h11-12H,4-10,17H2,1-3H3,(H,18,19,20).
What are the key properties of 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine?
2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine has a molecular weight of 308.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxyethoxy)-4-N-(2-methylcyclohexyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).