methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate

C10H16N4O2S — CID 80798105

IUPACmethyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
SMILESCNc1cc(NCCC(=O)OC)nc(SC)n1
InChIInChI=1S/C10H16N4O2S/c1-11-7-6-8(14-10(13-7)17-3)12-5-4-9(15)16-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyMKZGIGJJHUHSBL-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.22
Rot. Bonds6

About methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate

methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate (PubChem CID 80798105) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
PubChem CID80798105
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Namemethyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate
SMILESCNc1cc(NCCC(=O)OC)nc(SC)n1
InChIInChI=1S/C10H16N4O2S/c1-11-7-6-8(14-10(13-7)17-3)12-5-4-9(15)16-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyMKZGIGJJHUHSBL-UHFFFAOYSA-N
XLogP1.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate with MolForge

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Related Compounds

methyl 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]propanoate
CID 80798638
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
N-[2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethyl]acetamide
CID 80788462
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
N-methyl-2-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]acetamide
CID 80783801
4-N-decyl-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80838969
ethyl 3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]propanoate
CID 80816426
4-N-(2-cyclopropylethyl)-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80846727
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-N-[2-(3,5-difluorophenyl)ethyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80804289
6-N-methyl-2-methylsulfanyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433976

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate (CID 80798105) is methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate is CNc1cc(NCCC(=O)OC)nc(SC)n1.
What is the InChIKey of methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
The InChIKey is MKZGIGJJHUHSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-11-7-6-8(14-10(13-7)17-3)12-5-4-9(15)16-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate?
methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate has a molecular weight of 256.33 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80798105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).