4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one

C17H13Cl2N3OS — CID 135481509

IUPAC4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13Cl2N3OS/c18-12-7-6-11(13(19)8-12)9-24-17-21-15(20)14(16(23)22-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,20,21,22,23)
InChIKeyKRCAADJUVYKUAR-UHFFFAOYSA-N
MW378.28 g/mol
LogP4.62
Rot. Bonds4

About 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one

4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one (PubChem CID 135481509) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
PubChem CID135481509
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
SMILESNc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1-c1ccccc1
InChIInChI=1S/C17H13Cl2N3OS/c18-12-7-6-11(13(19)8-12)9-24-17-21-15(20)14(16(23)22-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,20,21,22,23)
InChIKeyKRCAADJUVYKUAR-UHFFFAOYSA-N
XLogP4.62
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfanyl]-7-methyl-8-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949694
6-[(2,4-dichlorophenyl)methylsulfanyl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135883521
4-amino-5-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135563485
4-amino-2-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-phenyl-1H-pyrimidin-6-one
CID 135415843
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2-[(4-amino-6-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135431418
2-[(2,4-dichlorophenyl)methylsulfanyl]-8-(4-methylphenyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 136949599
2-[(2-chlorophenyl)methylsulfanyl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135561969
2-(1H-benzimidazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 14064658
2-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1H-pyrimidin-6-one
CID 135450344
N-[4-amino-2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-5-bromofuran-2-carboxamide
CID 136507720
4-cyclopropyl-5-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-amine
CID 38667321

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one (CID 135481509) is 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one is Nc1nc(SCc2ccc(Cl)cc2Cl)[nH]c(=O)c1-c1ccccc1.
What is the InChIKey of 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is KRCAADJUVYKUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c18-12-7-6-11(13(19)8-12)9-24-17-21-15(20)14(16(23)22-17)10-4-2-1-3-5-10/h1-8H,9H2,(H3,20,21,22,23).
What are the key properties of 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one?
4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 378.28 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,4-dichlorophenyl)methylsulfanyl]-5-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135481509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).