3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide

C14H16N4O2S — CID 136985211

IUPAC3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
SMILESCCCc1cc(=O)[nH]c(Sc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C14H16N4O2S/c1-2-4-8-7-11(19)18-14(17-8)21-12-9(13(16)20)5-3-6-10(12)15/h3,5-7H,2,4,15H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyVMNMHGZRSPDVNW-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.55
Rot. Bonds5

About 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide

3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide (PubChem CID 136985211) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
PubChem CID136985211
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
SMILESCCCc1cc(=O)[nH]c(Sc2c(N)cccc2C(N)=O)n1
InChIInChI=1S/C14H16N4O2S/c1-2-4-8-7-11(19)18-14(17-8)21-12-9(13(16)20)5-3-6-10(12)15/h3,5-7H,2,4,15H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyVMNMHGZRSPDVNW-UHFFFAOYSA-N
XLogP1.55
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 135970675
2-[2-(aminomethyl)-6-chlorophenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136730594
2-[2-chloro-6-(hydroxymethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136827979
5-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968120
2-[(2-aminophenyl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 135933599
2-[2-fluoro-6-(1-hydroxyethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136668293
2-[(3-amino-2-bromophenyl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
CID 136729336
4-propyl-2-pyrimidin-2-ylsulfanyl-1H-pyrimidin-6-one
CID 136680347
2-(2-acetyl-3-fluorophenyl)sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135882385
2-[2-(2-bromophenyl)-2-oxoethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135910525
2-[2-fluoro-6-(methylaminomethyl)phenyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136730596
(2S)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 135987826

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The IUPAC name of 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide (CID 136985211) is 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The canonical SMILES for 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide is CCCc1cc(=O)[nH]c(Sc2c(N)cccc2C(N)=O)n1.
What is the InChIKey of 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The InChIKey is VMNMHGZRSPDVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-2-4-8-7-11(19)18-14(17-8)21-12-9(13(16)20)5-3-6-10(12)15/h3,5-7H,2,4,15H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide?
3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide has a molecular weight of 304.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 136985211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).