N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine

C12H16N4S — CID 4665727

IUPACN',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C12H16N4S/c1-16(2)6-5-13-12-14-8-10(9-15-12)11-4-3-7-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyQYCFZTUIWFEUHB-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.18
Rot. Bonds5

About N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine

N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 4665727) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID4665727
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC NameN',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCN(C)CCNc1ncc(-c2cccs2)cn1
InChIInChI=1S/C12H16N4S/c1-16(2)6-5-13-12-14-8-10(9-15-12)11-4-3-7-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15)
InChIKeyQYCFZTUIWFEUHB-UHFFFAOYSA-N
XLogP2.18
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetonitrile
CID 116975584
N-(2,2-dimethoxyethyl)-5-thiophen-2-ylpyrimidin-2-amine
CID 4642400
2-[(5-thiophen-2-ylpyrimidin-2-yl)amino]acetic acid
CID 116975091
2-methyl-5-thiophen-2-ylpyrimidine
CID 54054310
2-bromo-5-thiophen-2-ylpyrimidine
CID 66520182
1-N-[2-(dimethylamino)ethyl]-4-N-thieno[3,2-d]pyrimidin-2-ylbenzene-1,4-diamine
CID 141314561
N',N'-dimethyl-N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 141301509
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991
N-(5-chloropyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 79555337
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]thiophene-2-sulfonamide
CID 113025588
4-[(5-thiophen-2-ylpyrimidin-2-yl)amino]benzoic acid
CID 11580239

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine (CID 4665727) is N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine is CN(C)CCNc1ncc(-c2cccs2)cn1.
What is the InChIKey of N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is QYCFZTUIWFEUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16(2)6-5-13-12-14-8-10(9-15-12)11-4-3-7-17-11/h3-4,7-9H,5-6H2,1-2H3,(H,13,14,15).
What are the key properties of N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 248.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-thiophen-2-ylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 4665727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).