N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline

C19H20N4O2 — CID 141322748

IUPACN-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
SMILESc1coc(-c2nccc(CNc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-2-18(25-11-1)19-20-8-7-16(22-19)14-21-15-3-5-17(6-4-15)23-9-12-24-13-10-23/h1-8,11,21H,9-10,12-14H2
InChIKeyUBQJCKVPJYDASZ-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.19
Rot. Bonds5

About N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline

N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline (PubChem CID 141322748) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
PubChem CID141322748
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline
SMILESc1coc(-c2nccc(CNc3ccc(N4CCOCC4)cc3)n2)c1
InChIInChI=1S/C19H20N4O2/c1-2-18(25-11-1)19-20-8-7-16(22-19)14-21-15-3-5-17(6-4-15)23-9-12-24-13-10-23/h1-8,11,21H,9-10,12-14H2
InChIKeyUBQJCKVPJYDASZ-UHFFFAOYSA-N
XLogP3.19
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline 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-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline?
The IUPAC name of N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline (CID 141322748) is N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline.
What is the SMILES notation for N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline?
The canonical SMILES for N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline is c1coc(-c2nccc(CNc3ccc(N4CCOCC4)cc3)n2)c1.
What is the InChIKey of N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline?
The InChIKey is UBQJCKVPJYDASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-18(25-11-1)19-20-8-7-16(22-19)14-21-15-3-5-17(6-4-15)23-9-12-24-13-10-23/h1-8,11,21H,9-10,12-14H2.
What are the key properties of N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline?
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline has a molecular weight of 336.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]-4-morpholin-4-ylaniline is sourced from PubChem (CID 141322748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).