2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C12H15N5OS2 — CID 2524618

IUPAC2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C12H15N5OS2/c1-17(6-8-3-2-4-19-8)11(18)7-20-12-15-9(13)5-10(14)16-12/h2-5H,6-7H2,1H3,(H4,13,14,15,16)
InChIKeyHMZOYESBDFHZNT-UHFFFAOYSA-N
MW309.42 g/mol
LogP1.45
Rot. Bonds5

About 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2524618) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2524618
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CSc1nc(N)cc(N)n1
InChIInChI=1S/C12H15N5OS2/c1-17(6-8-3-2-4-19-8)11(18)7-20-12-15-9(13)5-10(14)16-12/h2-5H,6-7H2,1H3,(H4,13,14,15,16)
InChIKeyHMZOYESBDFHZNT-UHFFFAOYSA-N
XLogP1.45
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-Isobutyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 1152385
N-sec-Butyl-2-(4-thiophen-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 3145753
2-pyrimidin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 2379608
N-isopropyl-2-{[4-(2-thienyl)-2-pyrimidinyl]sulfanyl}acetamide
CID 2811769
N-propyl-2-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 3145751
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 134433602
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[4-(thiophen-2-ylmethylamino)phenyl]acetamide
CID 134433737
N-(thiophen-2-ylmethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 2482888
N-[3-(diethylamino)propyl]-2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 3145746
1-(2-(4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71797024
4-(4-Methylpiperazin-1-yl)-2-propylsulfanyl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 145988349
N-(2-methylsulfanyl-6-piperazin-1-ylpyrimidin-4-yl)thiophene-2-carboxamide
CID 172434327

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 2524618) is 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HMZOYESBDFHZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-17(6-8-3-2-4-19-8)11(18)7-20-12-15-9(13)5-10(14)16-12/h2-5H,6-7H2,1H3,(H4,13,14,15,16).
What are the key properties of 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2524618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).