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

C11H15ClN4OS — CID 80545671

IUPAC3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCSc1nc(Cl)cc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H15ClN4OS/c1-18-11-15-8(12)6-9(16-11)13-5-4-10(17)14-7-2-3-7/h6-7H,2-5H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyLZUZYIGGMGEPQJ-UHFFFAOYSA-N
MW286.79 g/mol
LogP1.93
Rot. Bonds6

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

3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide (PubChem CID 80545671) has the molecular formula C11H15ClN4OS and a molecular weight of 286.79 g/mol. Its IUPAC name is 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
PubChem CID80545671
Molecular FormulaC11H15ClN4OS
Molecular Weight286.79 g/mol
Exact Mass286.07
IUPAC Name3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
SMILESCSc1nc(Cl)cc(NCCC(=O)NC2CC2)n1
InChIInChI=1S/C11H15ClN4OS/c1-18-11-15-8(12)6-9(16-11)13-5-4-10(17)14-7-2-3-7/h6-7H,2-5H2,1H3,(H,14,17)(H,13,15,16)
InChIKeyLZUZYIGGMGEPQJ-UHFFFAOYSA-N
XLogP1.93
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80835468
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl carbamate
CID 83204103
N-cyclopropyl-3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]propanamide
CID 79394556
N-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80545291
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
6-chloro-N-[(4-methylcyclohexyl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80547154
3-[2-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311324
6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide (CID 80545671) is 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide is CSc1nc(Cl)cc(NCCC(=O)NC2CC2)n1.
What is the InChIKey of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
The InChIKey is LZUZYIGGMGEPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4OS/c1-18-11-15-8(12)6-9(16-11)13-5-4-10(17)14-7-2-3-7/h6-7H,2-5H2,1H3,(H,14,17)(H,13,15,16).
What are the key properties of 3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide?
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide has a molecular weight of 286.79 g/mol, XLogP of 1.93, 6 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]-N-cyclopropylpropanamide is sourced from PubChem (CID 80545671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).