N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine

C15H22N6O — CID 90453423

IUPACN-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine
SMILES[H]/N=C(\C=C(/C)ONCC)C(/C)=C(\N=C)N(C)c1cncnc1
InChIInChI=1S/C15H22N6O/c1-6-20-22-11(2)7-14(16)12(3)15(17-4)21(5)13-8-18-10-19-9-13/h7-10,16,20H,4,6H2,1-3,5H3/b11-7+,15-12+,16-14+
InChIKeyHHRYCAIPLANRDQ-LMGHWLQNSA-N
MW302.38 g/mol
LogP2.31
Rot. Bonds8

About N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine

N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine (PubChem CID 90453423) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine.

Molecular Properties

Compound NameN-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine
PubChem CID90453423
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine
SMILES[H]/N=C(\C=C(/C)ONCC)C(/C)=C(\N=C)N(C)c1cncnc1
InChIInChI=1S/C15H22N6O/c1-6-20-22-11(2)7-14(16)12(3)15(17-4)21(5)13-8-18-10-19-9-13/h7-10,16,20H,4,6H2,1-3,5H3/b11-7+,15-12+,16-14+
InChIKeyHHRYCAIPLANRDQ-LMGHWLQNSA-N
XLogP2.31
TPSA86.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-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-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine?
The IUPAC name of N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine (CID 90453423) is N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine.
What is the SMILES notation for N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine?
The canonical SMILES for N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine is [H]/N=C(\C=C(/C)ONCC)C(/C)=C(\N=C)N(C)c1cncnc1.
What is the InChIKey of N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine?
The InChIKey is HHRYCAIPLANRDQ-LMGHWLQNSA-N. The full InChI is InChI=1S/C15H22N6O/c1-6-20-22-11(2)7-14(16)12(3)15(17-4)21(5)13-8-18-10-19-9-13/h7-10,16,20H,4,6H2,1-3,5H3/b11-7+,15-12+,16-14+.
What are the key properties of N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine?
N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine has a molecular weight of 302.38 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,4E)-5-(ethylaminooxy)-3-imino-2-methyl-1-(methylideneamino)hexa-1,4-dienyl]-N-methylpyrimidin-5-amine is sourced from PubChem (CID 90453423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).