N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine

C16H19N5O — CID 141355409

IUPACN-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine
SMILESC(=C/c1ccc(Nc2ncccn2)cn1)\CN1CCOCC1
InChIInChI=1S/C16H19N5O/c1(8-21-9-11-22-12-10-21)3-14-4-5-15(13-19-14)20-16-17-6-2-7-18-16/h1-7,13H,8-12H2,(H,17,18,20)/b3-1+
InChIKeyJWGXBEAYDKDSJN-HNQUOIGGSA-N
MW297.36 g/mol
LogP1.96
Rot. Bonds5

About N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine

N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 141355409) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID141355409
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine
SMILESC(=C/c1ccc(Nc2ncccn2)cn1)\CN1CCOCC1
InChIInChI=1S/C16H19N5O/c1(8-21-9-11-22-12-10-21)3-14-4-5-15(13-19-14)20-16-17-6-2-7-18-16/h1-7,13H,8-12H2,(H,17,18,20)/b3-1+
InChIKeyJWGXBEAYDKDSJN-HNQUOIGGSA-N
XLogP1.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine (CID 141355409) is N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine is C(=C/c1ccc(Nc2ncccn2)cn1)\CN1CCOCC1.
What is the InChIKey of N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is JWGXBEAYDKDSJN-HNQUOIGGSA-N. The full InChI is InChI=1S/C16H19N5O/c1(8-21-9-11-22-12-10-21)3-14-4-5-15(13-19-14)20-16-17-6-2-7-18-16/h1-7,13H,8-12H2,(H,17,18,20)/b3-1+.
What are the key properties of N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine?
N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(E)-3-morpholin-4-ylprop-1-enyl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 141355409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).