4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C15H22N4O — CID 80814407

IUPAC4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2cc(C)oc2C)c1C
InChIInChI=1S/C15H22N4O/c1-6-16-14-10(3)15(18-8-17-14)19-11(4)13-7-9(2)20-12(13)5/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19)
InChIKeyBLYLSLMIUCCXOH-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.60
Rot. Bonds5

About 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80814407) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID80814407
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2cc(C)oc2C)c1C
InChIInChI=1S/C15H22N4O/c1-6-16-14-10(3)15(18-8-17-14)19-11(4)13-7-9(2)20-12(13)5/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19)
InChIKeyBLYLSLMIUCCXOH-UHFFFAOYSA-N
XLogP3.60
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80847941
6-N-ethyl-5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783228
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
CID 103468095
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80816428
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800701
4-N-[2-(dimethylamino)propyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819158
6-N-ethyl-4-N-hexan-3-yl-5-methylpyrimidine-4,6-diamine
CID 80818385
5-methyl-4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80783795
5-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 43697556
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 115000740

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 80814407) is 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NC(C)c2cc(C)oc2C)c1C.
What is the InChIKey of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is BLYLSLMIUCCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-6-16-14-10(3)15(18-8-17-14)19-11(4)13-7-9(2)20-12(13)5/h7-8,11H,6H2,1-5H3,(H2,16,17,18,19).
What are the key properties of 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80814407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).