2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine

C7H10ClN3OS — CID 86331156

IUPAC2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine
SMILESC[S@@](=O)c1nc(Cl)cc(CCN)n1
InChIInChI=1S/C7H10ClN3OS/c1-13(12)7-10-5(2-3-9)4-6(8)11-7/h4H,2-3,9H2,1H3/t13-/m1/s1
InChIKeyPWUGMNIXBZRMBS-CYBMUJFWSA-N
MW219.70 g/mol
LogP0.37
Rot. Bonds3

About 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine

2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine (PubChem CID 86331156) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine
PubChem CID86331156
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine
SMILESC[S@@](=O)c1nc(Cl)cc(CCN)n1
InChIInChI=1S/C7H10ClN3OS/c1-13(12)7-10-5(2-3-9)4-6(8)11-7/h4H,2-3,9H2,1H3/t13-/m1/s1
InChIKeyPWUGMNIXBZRMBS-CYBMUJFWSA-N
XLogP0.37
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine (CID 86331156) is 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine is C[S@@](=O)c1nc(Cl)cc(CCN)n1.
What is the InChIKey of 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine?
The InChIKey is PWUGMNIXBZRMBS-CYBMUJFWSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-13(12)7-10-5(2-3-9)4-6(8)11-7/h4H,2-3,9H2,1H3/t13-/m1/s1.
What are the key properties of 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine?
2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine has a molecular weight of 219.70 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-[(R)-methylsulfinyl]pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 86331156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).