4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one

C6H8ClN3OS — CID 135735504

IUPAC4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1nc(N)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H8ClN3OS/c1-2-12-6-9-4(8)3(7)5(11)10-6/h2H2,1H3,(H3,8,9,10,11)
InChIKeyLDZBWHPCLVKXBO-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.12
Rot. Bonds2

About 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one

4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one (PubChem CID 135735504) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
PubChem CID135735504
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one
SMILESCCSc1nc(N)c(Cl)c(=O)[nH]1
InChIInChI=1S/C6H8ClN3OS/c1-2-12-6-9-4(8)3(7)5(11)10-6/h2H2,1H3,(H3,8,9,10,11)
InChIKeyLDZBWHPCLVKXBO-UHFFFAOYSA-N
XLogP1.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-2-(propylsulfanyl)pyrimidin-4-ol
CID 167715888
4(1H)-Pyrimidinone, 5-chloro-2-(ethylthio)-
CID 605402
2-Propylthio-5-chloro-pyrimidin-4(3H)-one
CID 595544
2-Buthylthio-5-chloro-pyrimidin-4(3H)-one
CID 595549
5-Chloro-6-methyl-2-(methylsulfanyl)pyrimidin-4(1h)-one
CID 135538378
(4-amino-2-ethylsulfanyl-6-oxo-1H-pyrimidin-5-yl) thiocyanate
CID 137193217
5-chloro-2-ethylsulfanyl-4-methyl-1H-pyrimidin-6-one
CID 137272431
5-chloro-4-pentylsulfanyl-1H-pyrimidin-6-one
CID 107754008
5-chloro-4-ethylsulfanyl-1H-pyrimidin-6-one
CID 114790936
5-chloro-4-propylsulfanyl-1H-pyrimidin-6-one
CID 114790942
4-butan-2-ylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791053
4-butylsulfanyl-5-chloro-1H-pyrimidin-6-one
CID 114791096

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one (CID 135735504) is 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one is CCSc1nc(N)c(Cl)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
The InChIKey is LDZBWHPCLVKXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-2-12-6-9-4(8)3(7)5(11)10-6/h2H2,1H3,(H3,8,9,10,11).
What are the key properties of 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one?
4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one has a molecular weight of 205.67 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-ethylsulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135735504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).