3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide

C8H11ClN4OS — CID 80545317

IUPAC3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1nc(Cl)cc(NCCC(N)=O)n1
InChIInChI=1S/C8H11ClN4OS/c1-15-8-12-5(9)4-7(13-8)11-3-2-6(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyGQARJROFIVRBPL-UHFFFAOYSA-N
MW246.72 g/mol
LogP1.14
Rot. Bonds5

About 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide

3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide (PubChem CID 80545317) has the molecular formula C8H11ClN4OS and a molecular weight of 246.72 g/mol. Its IUPAC name is 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
PubChem CID80545317
Molecular FormulaC8H11ClN4OS
Molecular Weight246.72 g/mol
Exact Mass246.03
IUPAC Name3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
SMILESCSc1nc(Cl)cc(NCCC(N)=O)n1
InChIInChI=1S/C8H11ClN4OS/c1-15-8-12-5(9)4-7(13-8)11-3-2-6(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13)
InChIKeyGQARJROFIVRBPL-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 80545671
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
4-[[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]amino]butanamide
CID 80791948
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
methyl 3-[(6-amino-2-methylsulfanylpyrimidin-4-yl)amino]propanoate
CID 80798638
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butanamide
CID 80936075
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The IUPAC name of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide (CID 80545317) is 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide.
What is the SMILES notation for 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The canonical SMILES for 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide is CSc1nc(Cl)cc(NCCC(N)=O)n1.
What is the InChIKey of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide?
The InChIKey is GQARJROFIVRBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4OS/c1-15-8-12-5(9)4-7(13-8)11-3-2-6(10)14/h4H,2-3H2,1H3,(H2,10,14)(H,11,12,13).
What are the key properties of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide?
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide has a molecular weight of 246.72 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide is sourced from PubChem (CID 80545317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).