4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide

C14H16N4O2S — CID 135987401

IUPAC4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(N)cc1Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-3-16-13(20)10-5-4-9(15)7-11(10)21-14-17-8(2)6-12(19)18-14/h4-7H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeySONRPXFWTQOLDE-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.56
Rot. Bonds4

About 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide

4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide (PubChem CID 135987401) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
PubChem CID135987401
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
SMILESCCNC(=O)c1ccc(N)cc1Sc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C14H16N4O2S/c1-3-16-13(20)10-5-4-9(15)7-11(10)21-14-17-8(2)6-12(19)18-14/h4-7H,3,15H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeySONRPXFWTQOLDE-UHFFFAOYSA-N
XLogP1.56
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.56
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

6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
5-amino-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968120
N-[4-hydroxy-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]phenyl]acetamide
CID 177386993
2-amino-5-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzoic acid
CID 135968118
4-amino-2-[(4-chlorophenyl)methylsulfanyl]-N-ethylbenzamide
CID 114790207
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-[[3-[1-(ethylamino)ethyl]-2-pyridinyl]sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136835784
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-methylsulfanylbenzoic acid
CID 136695147
N-ethyl-2-methyl-6-propan-2-ylquinoline-4-carboxamide
CID 53016185
2-[(5-amino-1H-indazol-6-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136728223
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide (CID 135987401) is 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide is CCNC(=O)c1ccc(N)cc1Sc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide?
The InChIKey is SONRPXFWTQOLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-3-16-13(20)10-5-4-9(15)7-11(10)21-14-17-8(2)6-12(19)18-14/h4-7H,3,15H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide?
4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide has a molecular weight of 304.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide is sourced from PubChem (CID 135987401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).