2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine

C15H19FN4 — CID 80656756

IUPAC2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-10-8-14(17)19-15(18-10)9-20(3)11(2)12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H2,17,18,19)
InChIKeyKKSRYCLGUZJWFY-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.70
Rot. Bonds4

About 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine

2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine (PubChem CID 80656756) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
PubChem CID80656756
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CN(C)C(C)c2ccccc2F)n1
InChIInChI=1S/C15H19FN4/c1-10-8-14(17)19-15(18-10)9-20(3)11(2)12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H2,17,18,19)
InChIKeyKKSRYCLGUZJWFY-UHFFFAOYSA-N
XLogP2.70
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-fluorophenyl)methyl-methylamino]methyl]-6-methylpyrimidin-4-amine
CID 80656876
2-[(4-amino-6-methylpyrimidin-2-yl)methyl-methylamino]propan-1-ol
CID 104554411
4-fluoro-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980353
4-amino-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]phenol
CID 62978067
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 107878398
N-[(3-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)-N-methylethanamine
CID 63457680
6-methyl-2-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyrimidin-4-amine
CID 80657795
1-(2-fluorophenyl)-N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985100
3-bromo-2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]aniline
CID 62980354
2-[[bis(2-methylpropyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80657248
4-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]benzonitrile
CID 60964750
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine (CID 80656756) is 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CN(C)C(C)c2ccccc2F)n1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
The InChIKey is KKSRYCLGUZJWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c1-10-8-14(17)19-15(18-10)9-20(3)11(2)12-6-4-5-7-13(12)16/h4-8,11H,9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine?
2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine has a molecular weight of 274.34 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)ethyl-methylamino]methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80656756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).