4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C14H26N4O — CID 81067670

IUPAC4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCOCC)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-6-15-13-12(11(3)4)14(17-10-16-13)18(5)8-9-19-7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyPSFKFELOHQXZLF-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.50
Rot. Bonds8

About 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 81067670) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID81067670
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CCOCC)c1C(C)C
InChIInChI=1S/C14H26N4O/c1-6-15-13-12(11(3)4)14(17-10-16-13)18(5)8-9-19-7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyPSFKFELOHQXZLF-UHFFFAOYSA-N
XLogP2.50
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.50
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

4-N-(2-ethoxyethyl)-4-N,6-N-diethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80833920
5-bromo-4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 114072576
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
4-N-(2-ethoxyethyl)-4-N,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 81068418
1-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 80848616
3-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 80810135
N-(2-ethoxyethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80909764
2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80787141
4-N,6-N-diethyl-4-N-(2-methylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80774341
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80818951
4-N-[2-(dimethylamino)ethyl]-6-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80769699
4-N-cyclohexyl-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761918

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 81067670) is 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)CCOCC)c1C(C)C.
What is the InChIKey of 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is PSFKFELOHQXZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-15-13-12(11(3)4)14(17-10-16-13)18(5)8-9-19-7-2/h10-11H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-6-N-ethyl-4-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 81067670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).