N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine

C13H13F2N3 — CID 63987713

IUPACN-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccncn1
InChIInChI=1S/C13H13F2N3/c1-2-17-13(12-3-4-16-8-18-12)9-5-10(14)7-11(15)6-9/h3-8,13,17H,2H2,1H3
InChIKeyDYNMQQJIFGUBAP-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.45
Rot. Bonds4

About N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine

N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine (PubChem CID 63987713) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
PubChem CID63987713
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC NameN-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1ccncn1
InChIInChI=1S/C13H13F2N3/c1-2-17-13(12-3-4-16-8-18-12)9-5-10(14)7-11(15)6-9/h3-8,13,17H,2H2,1H3
InChIKeyDYNMQQJIFGUBAP-UHFFFAOYSA-N
XLogP2.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 63988973
N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(3-bromo-2,6-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 106942502
N-[(3,5-difluorophenyl)-(4-methyl-3-pyridinyl)methyl]ethanamine
CID 66272491
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrimidin-4-yl)methyl]ethanamine
CID 63990205
N-[2,3-dihydro-1-benzofuran-5-yl(pyrimidin-4-yl)methyl]ethanamine
CID 104542545
N-[(7-fluoro-1-benzofuran-2-yl)-pyrimidin-4-ylmethyl]ethanamine
CID 114728677
N-[(4-cyclopropyloxyphenyl)-pyrimidin-4-ylmethyl]ethanamine
CID 114519422
N-[(3-fluoro-5-methylphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951759
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099
2-(2,5-difluorophenyl)-N-ethyl-1-pyrimidin-4-ylethanamine
CID 63988553

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The IUPAC name of N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine (CID 63987713) is N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1ccncn1.
What is the InChIKey of N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
The InChIKey is DYNMQQJIFGUBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-2-17-13(12-3-4-16-8-18-12)9-5-10(14)7-11(15)6-9/h3-8,13,17H,2H2,1H3.
What are the key properties of N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine?
N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)-pyrimidin-4-ylmethyl]ethanamine is sourced from PubChem (CID 63987713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).