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

C12H22N4O2 — CID 82455702

IUPAC2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-7-18-12-10(13)11(14-6-8-17-3)15-9(5-2)16-12/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyKWCKFAUQQIXDJT-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.47
Rot. Bonds8

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

2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82455702) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82455702
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(CC)nc(NCCOC)c1N
InChIInChI=1S/C12H22N4O2/c1-4-7-18-12-10(13)11(14-6-8-17-3)15-9(5-2)16-12/h4-8,13H2,1-3H3,(H,14,15,16)
InChIKeyKWCKFAUQQIXDJT-UHFFFAOYSA-N
XLogP1.47
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.47
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

4-N,2-diethyl-6-propoxypyrimidine-4,5-diamine
CID 82455679
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
2-tert-butyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine
CID 82458783
6-butoxy-4-N-butyl-2-ethylpyrimidine-4,5-diamine
CID 82455756
6-chloro-2-ethyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 82459192
2-ethyl-5-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80989654
2-ethyl-6-(2-methoxyethoxy)-4-N-methylpyrimidine-4,5-diamine
CID 82455778
2-(methoxymethyl)-4-N-(3-methylbutyl)-6-propoxypyrimidine-4,5-diamine
CID 82458634
2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455713
2-ethyl-6-methoxy-4-N-pentylpyrimidine-4,5-diamine
CID 82455609
4-N-hexyl-6-(2-methoxyethoxy)-2-propylpyrimidine-4,5-diamine
CID 82456152
2-ethyl-6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455780

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine (CID 82455702) is 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(CC)nc(NCCOC)c1N.
What is the InChIKey of 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is KWCKFAUQQIXDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-7-18-12-10(13)11(14-6-8-17-3)15-9(5-2)16-12/h4-8,13H2,1-3H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine?
2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-N-(2-methoxyethyl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82455702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).