(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine

C16H19N3 — CID 99950845

IUPAC(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
SMILESC[C@@H](c1ccncn1)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H19N3/c1-14(16-10-11-17-13-18-16)19(2)12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3/b9-6+/t14-/m0/s1
InChIKeyACBYZBNJZOVCIO-MRZGDXHCSA-N
MW253.35 g/mol
LogP3.18
Rot. Bonds5

About (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine

(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine (PubChem CID 99950845) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
PubChem CID99950845
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine
SMILESC[C@@H](c1ccncn1)N(C)C/C=C/c1ccccc1
InChIInChI=1S/C16H19N3/c1-14(16-10-11-17-13-18-16)19(2)12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3/b9-6+/t14-/m0/s1
InChIKeyACBYZBNJZOVCIO-MRZGDXHCSA-N
XLogP3.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[(E)-3-phenylprop-2-enyl]-N-[(1S)-1-pyrimidin-4-ylethyl]triazole-4-carboxamide
CID 95708163
(1R)-N-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1-pyrimidin-4-ylethanamine
CID 124753171
(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
N-[[2-(furan-2-yl)phenyl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 77079818
N-methyl-3-pyridin-3-yl-N-(1-pyrimidin-4-ylethyl)propan-1-amine
CID 91837702
(1S)-N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 99928265
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
1,2-dimethyl-1-[(E)-3-phenylprop-2-enyl]hydrazine
CID 137382786
N-methyl-N-[(E)-3-phenylprop-2-enyl]formamide
CID 122392912
6-N-benzyl-5-N,6-N-dimethyl-5-N-(1-pyrimidin-4-ylethyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 45173142

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine?
The IUPAC name of (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine (CID 99950845) is (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine is C[C@@H](c1ccncn1)N(C)C/C=C/c1ccccc1.
What is the InChIKey of (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine?
The InChIKey is ACBYZBNJZOVCIO-MRZGDXHCSA-N. The full InChI is InChI=1S/C16H19N3/c1-14(16-10-11-17-13-18-16)19(2)12-6-9-15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3/b9-6+/t14-/m0/s1.
What are the key properties of (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine?
(E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine has a molecular weight of 253.35 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-phenyl-N-[(1S)-1-pyrimidin-4-ylethyl]prop-2-en-1-amine is sourced from PubChem (CID 99950845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).