N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

C18H19N3O — CID 77079818

IUPACN-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1ccccc1-c1ccco1
InChIInChI=1S/C18H19N3O/c1-14(17-9-10-19-13-20-17)21(2)12-15-6-3-4-7-16(15)18-8-5-11-22-18/h3-11,13-14H,12H2,1-2H3
InChIKeyBISAAZJJEASEIX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.93
Rot. Bonds5

About N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine

N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (PubChem CID 77079818) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
PubChem CID77079818
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
SMILESCC(c1ccncn1)N(C)Cc1ccccc1-c1ccco1
InChIInChI=1S/C18H19N3O/c1-14(17-9-10-19-13-20-17)21(2)12-15-6-3-4-7-16(15)18-8-5-11-22-18/h3-11,13-14H,12H2,1-2H3
InChIKeyBISAAZJJEASEIX-UHFFFAOYSA-N
XLogP3.93
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-methyl-N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-1-pyrimidin-4-ylethanamine
CID 99930677
1-methyl-3-[[methyl-[(1S)-1-pyrimidin-4-ylethyl]amino]methyl]quinolin-2-one
CID 99946876
N-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45193402
(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99928265
(1R)-N-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99930753
N-[[2-(4-methoxynaphthalen-1-yl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 45211946
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
CID 99950845
(1S)-N-[[3-(1-benzofuran-2-yl)-1-benzylpyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 42095542
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
(1S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99927767

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The IUPAC name of N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine (CID 77079818) is N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The canonical SMILES for N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is CC(c1ccncn1)N(C)Cc1ccccc1-c1ccco1.
What is the InChIKey of N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
The InChIKey is BISAAZJJEASEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(17-9-10-19-13-20-17)21(2)12-15-6-3-4-7-16(15)18-8-5-11-22-18/h3-11,13-14H,12H2,1-2H3.
What are the key properties of N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine?
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine has a molecular weight of 293.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine is sourced from PubChem (CID 77079818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).