2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

C12H21N5OS — CID 80820634

IUPAC2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1cc(N(CC(N)=O)CC(C)C)nc(SC)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)6-17(7-9(13)18)11-5-10(14-3)15-12(16-11)19-4/h5,8H,6-7H2,1-4H3,(H2,13,18)(H,14,15,16)
InChIKeyOHCYJHVMUBZYJF-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.19
Rot. Bonds7

About 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide

2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (PubChem CID 80820634) has the molecular formula C12H21N5OS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
PubChem CID80820634
Molecular FormulaC12H21N5OS
Molecular Weight283.40 g/mol
Exact Mass283.15
IUPAC Name2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide
SMILESCNc1cc(N(CC(N)=O)CC(C)C)nc(SC)n1
InChIInChI=1S/C12H21N5OS/c1-8(2)6-17(7-9(13)18)11-5-10(14-3)15-12(16-11)19-4/h5,8H,6-7H2,1-4H3,(H2,13,18)(H,14,15,16)
InChIKeyOHCYJHVMUBZYJF-UHFFFAOYSA-N
XLogP1.19
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80821516
2-[(4-amino-6-chloro-2-pyridinyl)-(2-methylpropyl)amino]acetamide
CID 114070570
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N-methylacetamide
CID 80895810
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804755
2-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]-(2-methylpropyl)amino]acetamide
CID 102720618
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80961509
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
2-[ethyl-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 80896124
2-[[6-(methylamino)imidazo[1,2-a]pyrazin-8-yl]-(2-methylpropyl)amino]acetamide
CID 80820321
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
CID 80821043
2-[(2-hydrazinylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901634

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide (CID 80820634) is 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is CNc1cc(N(CC(N)=O)CC(C)C)nc(SC)n1.
What is the InChIKey of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
The InChIKey is OHCYJHVMUBZYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5OS/c1-8(2)6-17(7-9(13)18)11-5-10(14-3)15-12(16-11)19-4/h5,8H,6-7H2,1-4H3,(H2,13,18)(H,14,15,16).
What are the key properties of 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide?
2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide has a molecular weight of 283.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 80820634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).