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

C17H26N4OS — CID 47000521

IUPACN'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C17H26N4OS/c1-14-5-6-16(23-14)12-21(8-7-20(2)3)11-15-9-18-17(13-22-4)19-10-15/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyUHGXSSOAYFOXKY-UHFFFAOYSA-N
MW334.49 g/mol
LogP2.56
Rot. Bonds9

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

N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (PubChem CID 47000521) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
PubChem CID47000521
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC NameN'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
SMILESCOCc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1
InChIInChI=1S/C17H26N4OS/c1-14-5-6-16(23-14)12-21(8-7-20(2)3)11-15-9-18-17(13-22-4)19-10-15/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyUHGXSSOAYFOXKY-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine (CID 47000521) is N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is COCc1ncc(CN(CCN(C)C)Cc2ccc(C)s2)cn1.
What is the InChIKey of N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is UHGXSSOAYFOXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-14-5-6-16(23-14)12-21(8-7-20(2)3)11-15-9-18-17(13-22-4)19-10-15/h5-6,9-10H,7-8,11-13H2,1-4H3.
What are the key properties of N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine?
N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 334.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(methoxymethyl)pyrimidin-5-yl]methyl]-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 47000521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).