N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine

C14H15F2N3 — CID 82822460

IUPACN-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H15F2N3/c1-3-17-13(14-18-7-4-8-19-14)11-10(15)6-5-9(2)12(11)16/h4-8,13,17H,3H2,1-2H3
InChIKeyGAGSIPDCUJTOMR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.76
Rot. Bonds4

About N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine

N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine (PubChem CID 82822460) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
PubChem CID82822460
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
SMILESCCNC(c1ncccn1)c1c(F)ccc(C)c1F
InChIInChI=1S/C14H15F2N3/c1-3-17-13(14-18-7-4-8-19-14)11-10(15)6-5-9(2)12(11)16/h4-8,13,17H,3H2,1-2H3
InChIKeyGAGSIPDCUJTOMR-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-difluoro-3-methylphenyl)-pyridin-4-ylmethyl]ethanamine
CID 82822617
N-[(3-fluoro-4-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 107128679
N-[(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 82822811
N-[(2,6-difluoro-3-methylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 82822208
N-[(2,6-difluoro-3-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796796
N-[(3-bromophenyl)-(2,6-difluoro-3-methylphenyl)methyl]ethanamine
CID 82823036
N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970
N-[(2,6-difluoro-3-methylphenyl)-(2-methylfuran-3-yl)methyl]ethanamine
CID 104790100
N-[(2,6-difluoro-3-methylphenyl)-(2-ethyl-5-methylpyrazol-3-yl)methyl]ethanamine
CID 105175912
N-[(2,6-difluoro-3-methylphenyl)-(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 82803166
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
N-[(2,6-difluoro-3-methylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025947

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine (CID 82822460) is N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine is CCNC(c1ncccn1)c1c(F)ccc(C)c1F.
What is the InChIKey of N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
The InChIKey is GAGSIPDCUJTOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-3-17-13(14-18-7-4-8-19-14)11-10(15)6-5-9(2)12(11)16/h4-8,13,17H,3H2,1-2H3.
What are the key properties of N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine?
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine is sourced from PubChem (CID 82822460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).