5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine

C15H19FN4 — CID 83186234

IUPAC5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)c2cccc(F)c2)nc1C
InChIInChI=1S/C15H19FN4/c1-4-17-9-12-10-18-15(19-11(12)2)20(3)14-7-5-6-13(16)8-14/h5-8,10,17H,4,9H2,1-3H3
InChIKeyZCOMNDDUYUBLNX-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.80
Rot. Bonds5

About 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine

5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine (PubChem CID 83186234) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
PubChem CID83186234
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine
SMILESCCNCc1cnc(N(C)c2cccc(F)c2)nc1C
InChIInChI=1S/C15H19FN4/c1-4-17-9-12-10-18-15(19-11(12)2)20(3)14-7-5-6-13(16)8-14/h5-8,10,17H,4,9H2,1-3H3
InChIKeyZCOMNDDUYUBLNX-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097
4-(ethylaminomethyl)-2,6-difluoro-N-(3-fluorophenyl)-N-methylaniline
CID 63075774
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-phenylpyrimidin-2-amine
CID 83179612
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
5-(bromomethyl)-N-(3-fluorophenyl)-N-methylpyrimidin-2-amine
CID 107082652
N-(3-fluorophenyl)-N,2-dimethyl-5-(methylaminomethyl)pyridin-4-amine
CID 81247042
5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
CID 83186463
N-ethyl-5-(ethylaminomethyl)-N-(3-fluorophenyl)-3-methylpyridin-2-amine
CID 80637668
N'-ethyl-N'-[5-(ethylaminomethyl)-4-methylpyrimidin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 102997398
N-[[2-(3-methoxyphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189135
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 83185815

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine (CID 83186234) is 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine is CCNCc1cnc(N(C)c2cccc(F)c2)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine?
The InChIKey is ZCOMNDDUYUBLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-4-17-9-12-10-18-15(19-11(12)2)20(3)14-7-5-6-13(16)8-14/h5-8,10,17H,4,9H2,1-3H3.
What are the key properties of 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine?
5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine has a molecular weight of 274.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(3-fluorophenyl)-N,4-dimethylpyrimidin-2-amine is sourced from PubChem (CID 83186234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).