2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one

C11H10ClN3OS — CID 57256510

IUPAC2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(Cl)ccc1Sc1cnc(N)[nH]c1=O
InChIInChI=1S/C11H10ClN3OS/c1-6-4-7(12)2-3-8(6)17-9-5-14-11(13)15-10(9)16/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIFOLQMCGZXBVMX-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.47
Rot. Bonds2

About 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one

2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one (PubChem CID 57256510) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one
PubChem CID57256510
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one
SMILESCc1cc(Cl)ccc1Sc1cnc(N)[nH]c1=O
InChIInChI=1S/C11H10ClN3OS/c1-6-4-7(12)2-3-8(6)17-9-5-14-11(13)15-10(9)16/h2-5H,1H3,(H3,13,14,15,16)
InChIKeyIFOLQMCGZXBVMX-UHFFFAOYSA-N
XLogP2.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2-amino-4-hydroxy-5-(3-methyl)anilino-
CID 121220739
2-amino-5-(4-chloro-2-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 57009218
2,4-diamino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 135434134
2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 11010496
2-[(4-chloro-2-methylphenyl)disulfanyl]-1H-pyrimidin-6-one
CID 53798004
2-amino-5-(4-methylphenyl)sulfanyl-1H-pyrimidin-6-one
CID 57261359
2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-4-(cyclohexylamino)-1H-pyrimidin-6-one
CID 136445497
2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one;2-amino-5-(4-chlorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 158626537
5-chloro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzonitrile
CID 62493578
2-[4-chloro-2-(methylaminomethyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 113643485
2-[2-(aminomethyl)-4-chlorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 113643486
2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 113643733

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one (CID 57256510) is 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one is Cc1cc(Cl)ccc1Sc1cnc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
The InChIKey is IFOLQMCGZXBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-6-4-7(12)2-3-8(6)17-9-5-14-11(13)15-10(9)16/h2-5H,1H3,(H3,13,14,15,16).
What are the key properties of 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one?
2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one has a molecular weight of 267.74 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-chloro-2-methylphenyl)sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 57256510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).