2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

C15H22N6O3S — CID 122308622

IUPAC2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)CN(C)S(C)(=O)=O)cc(-n2cccc2)n1
InChIInChI=1S/C15H22N6O3S/c1-12-18-13(10-14(19-12)21-8-4-5-9-21)16-6-7-17-15(22)11-20(2)25(3,23)24/h4-5,8-10H,6-7,11H2,1-3H3,(H,17,22)(H,16,18,19)
InChIKeyOOHJJBQNKADFSN-UHFFFAOYSA-N
MW366.45 g/mol
LogP-0.00
Rot. Bonds8

About 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (PubChem CID 122308622) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
PubChem CID122308622
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
SMILESCc1nc(NCCNC(=O)CN(C)S(C)(=O)=O)cc(-n2cccc2)n1
InChIInChI=1S/C15H22N6O3S/c1-12-18-13(10-14(19-12)21-8-4-5-9-21)16-6-7-17-15(22)11-20(2)25(3,23)24/h4-5,8-10H,6-7,11H2,1-3H3,(H,17,22)(H,16,18,19)
InChIKeyOOHJJBQNKADFSN-UHFFFAOYSA-N
XLogP-0.00
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(dimethylsulfamoylamino)ethylamino]-2-methyl-6-pyrrol-1-ylpyrimidine
CID 122308533
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide
CID 122308600
N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]cyclobutanecarboxamide
CID 122308607
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782
1-(4-tert-butylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308789
1-(2,6-difluorophenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308543
5-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-4-carboxamide
CID 122308636
1-(2-ethylphenyl)-3-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]urea
CID 122308482
3-cyano-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122308613
2-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122308603
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 122291620
(2R)-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 97040806

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide (CID 122308622) is 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is Cc1nc(NCCNC(=O)CN(C)S(C)(=O)=O)cc(-n2cccc2)n1.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
The InChIKey is OOHJJBQNKADFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-12-18-13(10-14(19-12)21-8-4-5-9-21)16-6-7-17-15(22)11-20(2)25(3,23)24/h4-5,8-10H,6-7,11H2,1-3H3,(H,17,22)(H,16,18,19).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide has a molecular weight of 366.45 g/mol, XLogP of -0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]acetamide is sourced from PubChem (CID 122308622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).