5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

C10H15ClN4OS — CID 136876840

IUPAC5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCSCC2)c1Cl
InChIInChI=1S/C10H15ClN4OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeyRLWQWJQGVKWIHV-UHFFFAOYSA-N
MW274.78 g/mol
LogP0.88
Rot. Bonds4

About 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one

5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136876840) has the molecular formula C10H15ClN4OS and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136876840
Molecular FormulaC10H15ClN4OS
Molecular Weight274.78 g/mol
Exact Mass274.07
IUPAC Name5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCSCC2)c1Cl
InChIInChI=1S/C10H15ClN4OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16)
InChIKeyRLWQWJQGVKWIHV-UHFFFAOYSA-N
XLogP0.88
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one (CID 136876840) is 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCSCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is RLWQWJQGVKWIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4OS/c11-8-9(13-7-14-10(8)16)12-1-2-15-3-5-17-6-4-15/h7H,1-6H2,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one?
5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 274.78 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-thiomorpholin-4-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136876840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).