6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine

C9H15ClN4O — CID 82459192

IUPAC6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NCCOC)n1
InChIInChI=1S/C9H15ClN4O/c1-3-6-13-8(10)7(11)9(14-6)12-4-5-15-2/h3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyYDIAMPQJAGEYKA-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.33
Rot. Bonds5

About 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine

6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine (PubChem CID 82459192) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
PubChem CID82459192
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
SMILESCCc1nc(Cl)c(N)c(NCCOC)n1
InChIInChI=1S/C9H15ClN4O/c1-3-6-13-8(10)7(11)9(14-6)12-4-5-15-2/h3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyYDIAMPQJAGEYKA-UHFFFAOYSA-N
XLogP1.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.33
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

2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455702
6-chloro-4-N-[3-(dimethylamino)propyl]-2-ethylpyrimidine-4,5-diamine
CID 82459184
6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971330
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
6-chloro-2-ethyl-5-methyl-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104576944
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
6-chloro-2-ethyl-4-N-[1-(4-methoxyphenyl)ethyl]pyrimidine-4,5-diamine
CID 82459180
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
6-methoxy-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,5-diamine
CID 82455343
6-chloro-4-N-(2-phenylethyl)-2-propylpyrimidine-4,5-diamine
CID 82459378
6-chloro-4-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82459433

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine (CID 82459192) is 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine is CCc1nc(Cl)c(N)c(NCCOC)n1.
What is the InChIKey of 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine?
The InChIKey is YDIAMPQJAGEYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-6-13-8(10)7(11)9(14-6)12-4-5-15-2/h3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine?
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).