2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

C16H21N5O2S — CID 136607679

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCc1cc(=O)[nH]c(SC(C)C(=O)NCCNc2ccncc2C)n1
InChIInChI=1S/C16H21N5O2S/c1-10-9-17-5-4-13(10)18-6-7-19-15(23)12(3)24-16-20-11(2)8-14(22)21-16/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18)(H,19,23)(H,20,21,22)
InChIKeyHQCRRUSOGJZALR-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.49
Rot. Bonds7

About 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (PubChem CID 136607679) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
PubChem CID136607679
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
SMILESCc1cc(=O)[nH]c(SC(C)C(=O)NCCNc2ccncc2C)n1
InChIInChI=1S/C16H21N5O2S/c1-10-9-17-5-4-13(10)18-6-7-19-15(23)12(3)24-16-20-11(2)8-14(22)21-16/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18)(H,19,23)(H,20,21,22)
InChIKeyHQCRRUSOGJZALR-UHFFFAOYSA-N
XLogP1.49
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-methylfuran-2-yl)ethyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136662359
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 136857791
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 137098597
(2S)-2-ethoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide
CID 126448162
(2S)-N-[3-(4-chloropyrazol-1-yl)propyl]-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136711858
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methylphenyl)propanamide
CID 136685856
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
N-(2,5-difluorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136685867
(2R)-N-(3-chlorophenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135853449
2-(4-chlorophenyl)-2-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 131945076

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide (CID 136607679) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is Cc1cc(=O)[nH]c(SC(C)C(=O)NCCNc2ccncc2C)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
The InChIKey is HQCRRUSOGJZALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-9-17-5-4-13(10)18-6-7-19-15(23)12(3)24-16-20-11(2)8-14(22)21-16/h4-5,8-9,12H,6-7H2,1-3H3,(H,17,18)(H,19,23)(H,20,21,22).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide has a molecular weight of 347.44 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]propanamide is sourced from PubChem (CID 136607679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).