N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

C16H24N4OS — CID 46999113

IUPACN'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C16H24N4OS/c1-13-5-6-15(22-13)12-20(8-7-19(2)3)11-14-9-17-16(21-4)18-10-14/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyKGLPVCRWRSLQFI-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.42
Rot. Bonds8

About N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine

N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 46999113) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID46999113
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C16H24N4OS/c1-13-5-6-15(22-13)12-20(8-7-19(2)3)11-14-9-17-16(21-4)18-10-14/h5-6,9-10H,7-8,11-12H2,1-4H3
InChIKeyKGLPVCRWRSLQFI-UHFFFAOYSA-N
XLogP2.42
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine 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-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 46999113) is N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is COc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1.
What is the InChIKey of N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is KGLPVCRWRSLQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-13-5-6-15(22-13)12-20(8-7-19(2)3)11-14-9-17-16(21-4)18-10-14/h5-6,9-10H,7-8,11-12H2,1-4H3.
What are the key properties of N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 320.46 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxypyrimidin-5-yl)methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 46999113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).