6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

C15H22N4O — CID 80962187

IUPAC6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccco2)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O/c1-4-16-13-10-14(19-15(18-13)11(2)3)17-8-7-12-6-5-9-20-12/h5-6,9-11H,4,7-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUMXISWLDYLZAQB-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.28
Rot. Bonds7

About 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80962187) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80962187
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccco2)nc(C(C)C)n1
InChIInChI=1S/C15H22N4O/c1-4-16-13-10-14(19-15(18-13)11(2)3)17-8-7-12-6-5-9-20-12/h5-6,9-11H,4,7-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyUMXISWLDYLZAQB-UHFFFAOYSA-N
XLogP3.28
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
6-N-ethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 106106860
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
4-N-(2-ethoxyethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967942
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
6-hydrazinyl-N-(2-phenylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968187
6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
N-ethyl-2-propan-2-yl-6-propylpyrimidin-4-amine
CID 62192677
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-[2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 80967250

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80962187) is 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCCc2ccco2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UMXISWLDYLZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-4-16-13-10-14(19-15(18-13)11(2)3)17-8-7-12-6-5-9-20-12/h5-6,9-11H,4,7-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[2-(furan-2-yl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80962187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).