N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide

C17H25N7S — CID 143218784

IUPACN'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide
SMILESCCNN/C(C)=N/C1=NC(Sc2ccc(NC)cc2)=C/C(=C/N)N1C
InChIInChI=1S/C17H25N7S/c1-5-20-23-12(2)21-17-22-16(10-14(11-18)24(17)4)25-15-8-6-13(19-3)7-9-15/h6-11,19-20H,5,18H2,1-4H3,(H,21,22,23)/b14-11-
InChIKeyDKAKTHOTLQNAIW-KAMYIIQDSA-N
MW359.50 g/mol
LogP2.30
Rot. Bonds5

About N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide

N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide (PubChem CID 143218784) has the molecular formula C17H25N7S and a molecular weight of 359.50 g/mol. Its IUPAC name is N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide.

Molecular Properties

Compound NameN'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide
PubChem CID143218784
Molecular FormulaC17H25N7S
Molecular Weight359.50 g/mol
Exact Mass359.19
IUPAC NameN'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide
SMILESCCNN/C(C)=N/C1=NC(Sc2ccc(NC)cc2)=C/C(=C/N)N1C
InChIInChI=1S/C17H25N7S/c1-5-20-23-12(2)21-17-22-16(10-14(11-18)24(17)4)25-15-8-6-13(19-3)7-9-15/h6-11,19-20H,5,18H2,1-4H3,(H,21,22,23)/b14-11-
InChIKeyDKAKTHOTLQNAIW-KAMYIIQDSA-N
XLogP2.30
TPSA90.07 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide 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'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide?
The IUPAC name of N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide (CID 143218784) is N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide.
What is the SMILES notation for N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide?
The canonical SMILES for N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide is CCNN/C(C)=N/C1=NC(Sc2ccc(NC)cc2)=C/C(=C/N)N1C.
What is the InChIKey of N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide?
The InChIKey is DKAKTHOTLQNAIW-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H25N7S/c1-5-20-23-12(2)21-17-22-16(10-14(11-18)24(17)4)25-15-8-6-13(19-3)7-9-15/h6-11,19-20H,5,18H2,1-4H3,(H,21,22,23)/b14-11-.
What are the key properties of N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide?
N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide has a molecular weight of 359.50 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6Z)-6-(aminomethylidene)-1-methyl-4-[4-(methylamino)phenyl]sulfanylpyrimidin-2-yl]-N-(ethylamino)ethanimidamide is sourced from PubChem (CID 143218784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).