5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine

C14H20N4O — CID 83186463

IUPAC5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccco2)nc1C
InChIInChI=1S/C14H20N4O/c1-4-15-8-12-9-16-14(17-11(12)2)18(3)10-13-6-5-7-19-13/h5-7,9,15H,4,8,10H2,1-3H3
InChIKeyXVNKCJSTTQJPLA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.12
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine

5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 83186463) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID83186463
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)Cc2ccco2)nc1C
InChIInChI=1S/C14H20N4O/c1-4-15-8-12-9-16-14(17-11(12)2)18(3)10-13-6-5-7-19-13/h5-7,9,15H,4,8,10H2,1-3H3
InChIKeyXVNKCJSTTQJPLA-UHFFFAOYSA-N
XLogP2.12
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 83179075
3-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 55211030
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
CID 83186234
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815
N-(furan-2-ylmethyl)-N-methyl-4-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-2-amine
CID 46994739
[1-[furan-2-ylmethyl(methyl)amino]isoquinolin-4-yl]methanol
CID 106767996
2-chloro-4-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylaniline
CID 81149232
N-[[4-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728370

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine (CID 83186463) is 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine is CCNCc1cnc(N(C)Cc2ccco2)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is XVNKCJSTTQJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-15-8-12-9-16-14(17-11(12)2)18(3)10-13-6-5-7-19-13/h5-7,9,15H,4,8,10H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine?
5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 260.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83186463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).