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

C9H15N5OS — CID 80783801

IUPACN-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CNc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H15N5OS/c1-10-6-4-7(12-5-8(15)11-2)14-9(13-6)16-3/h4H,5H2,1-3H3,(H,11,15)(H2,10,12,13,14)
InChIKeyMEQTVNCEQVDJEU-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.40
Rot. Bonds5

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

N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide (PubChem CID 80783801) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
PubChem CID80783801
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC NameN-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CNc1cc(NC)nc(SC)n1
InChIInChI=1S/C9H15N5OS/c1-10-6-4-7(12-5-8(15)11-2)14-9(13-6)16-3/h4H,5H2,1-3H3,(H,11,15)(H2,10,12,13,14)
InChIKeyMEQTVNCEQVDJEU-UHFFFAOYSA-N
XLogP0.40
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]acetamide
CID 80955339
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
CID 80798105
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-(methylamino)-2-methylsulfanylpyrimidine-4-carboxylic acid
CID 83872051
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
2-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80955338
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842902
[1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 113313789
1-[[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842435
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-N-tert-butylacetamide
CID 113293339

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide (CID 80783801) is N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide is CNC(=O)CNc1cc(NC)nc(SC)n1.
What is the InChIKey of N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide?
The InChIKey is MEQTVNCEQVDJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-10-6-4-7(12-5-8(15)11-2)14-9(13-6)16-3/h4H,5H2,1-3H3,(H,11,15)(H2,10,12,13,14).
What are the key properties of N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide?
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide has a molecular weight of 241.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 80783801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).