6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine

C10H17ClN4O — CID 63698064

IUPAC6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCOCCN(CC)c1ncnc(Cl)c1N
InChIInChI=1S/C10H17ClN4O/c1-3-15(5-6-16-4-2)10-8(12)9(11)13-7-14-10/h7H,3-6,12H2,1-2H3
InChIKeyXMMSFWCQMCKXQH-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.58
Rot. Bonds6

About 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine

6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine (PubChem CID 63698064) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
PubChem CID63698064
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine
SMILESCCOCCN(CC)c1ncnc(Cl)c1N
InChIInChI=1S/C10H17ClN4O/c1-3-15(5-6-16-4-2)10-8(12)9(11)13-7-14-10/h7H,3-6,12H2,1-2H3
InChIKeyXMMSFWCQMCKXQH-UHFFFAOYSA-N
XLogP1.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.58
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

3-[(5-amino-6-chloropyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 63285179
2-[(5-amino-6-chloropyrimidin-4-yl)-ethylamino]acetamide
CID 103101135
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
CID 66280209
4-N-(2-ethoxyethyl)-4-N,5-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80834415
5-bromo-4-N-(2-ethoxyethyl)-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 114072323
6-chloro-4-N-methyl-4-N-propylpyrimidine-4,5-diamine
CID 63024110
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propylpyrimidine-4,6-diamine
CID 80834161
3-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyrazin-2-amine
CID 63697339
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80909247
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine (CID 63698064) is 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine is CCOCCN(CC)c1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine?
The InChIKey is XMMSFWCQMCKXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-15(5-6-16-4-2)10-8(12)9(11)13-7-14-10/h7H,3-6,12H2,1-2H3.
What are the key properties of 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine?
6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine has a molecular weight of 244.73 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-ethoxyethyl)-4-N-ethylpyrimidine-4,5-diamine is sourced from PubChem (CID 63698064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).