6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine

C15H22N4O — CID 80800701

IUPAC6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2ccc(C)o2)c1CC
InChIInChI=1S/C15H22N4O/c1-5-12-14(16-6-2)17-9-18-15(12)19-11(4)13-8-7-10(3)20-13/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19)
InChIKeyJFTCJYUTXTZOIE-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.55
Rot. Bonds6

About 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine

6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 80800701) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID80800701
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC(C)c2ccc(C)o2)c1CC
InChIInChI=1S/C15H22N4O/c1-5-12-14(16-6-2)17-9-18-15(12)19-11(4)13-8-7-10(3)20-13/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19)
InChIKeyJFTCJYUTXTZOIE-UHFFFAOYSA-N
XLogP3.55
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 80897021
6-hydrazinyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-propylpyrimidin-4-amine
CID 80897937
6-N-ethyl-2,5-dimethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80800277
6-N,5-diethyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80769783
6-methoxy-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 66327670
2-N-ethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80800278
6-N,5-diethyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-4,6-diamine
CID 102908943
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 99809761
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842162
6-N-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 112726541
2-N-ethyl-6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80801180
4-N-(2,3-dimethylbutyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80844938

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine (CID 80800701) is 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine is CCNc1ncnc(NC(C)c2ccc(C)o2)c1CC.
What is the InChIKey of 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is JFTCJYUTXTZOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-12-14(16-6-2)17-9-18-15(12)19-11(4)13-8-7-10(3)20-13/h7-9,11H,5-6H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine?
6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).