(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C18H22N6O3 — CID 134293773

IUPAC(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESC=c1ccn(Cc2nc(OC)cc(OC)n2)/c1=C(/C)NCc1noc(C)n1
InChIInChI=1S/C18H22N6O3/c1-11-6-7-24(10-15-21-16(25-4)8-17(22-15)26-5)18(11)12(2)19-9-14-20-13(3)27-23-14/h6-8,19H,1,9-10H2,2-5H3/b18-12-
InChIKeyUBTZFHNVNKJKIB-PDGQHHTCSA-N
MW370.41 g/mol
LogP0.36
Rot. Bonds7

About (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 134293773) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID134293773
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESC=c1ccn(Cc2nc(OC)cc(OC)n2)/c1=C(/C)NCc1noc(C)n1
InChIInChI=1S/C18H22N6O3/c1-11-6-7-24(10-15-21-16(25-4)8-17(22-15)26-5)18(11)12(2)19-9-14-20-13(3)27-23-14/h6-8,19H,1,9-10H2,2-5H3/b18-12-
InChIKeyUBTZFHNVNKJKIB-PDGQHHTCSA-N
XLogP0.36
TPSA100.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine 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 (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 134293773) is (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is C=c1ccn(Cc2nc(OC)cc(OC)n2)/c1=C(/C)NCc1noc(C)n1.
What is the InChIKey of (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is UBTZFHNVNKJKIB-PDGQHHTCSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-11-6-7-24(10-15-21-16(25-4)8-17(22-15)26-5)18(11)12(2)19-9-14-20-13(3)27-23-14/h6-8,19H,1,9-10H2,2-5H3/b18-12-.
What are the key properties of (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
(1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 370.41 g/mol, XLogP of 0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[1-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-methylidenepyrrol-2-ylidene]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 134293773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).