1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea

C11H18N6O3S — CID 134297550

IUPAC1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea
SMILESC=CNC(=O)Nc1nc(C)cc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H18N6O3S/c1-4-12-11(18)17-10-15-8(2)7-9(16-10)13-5-6-14-21(3,19)20/h4,7,14H,1,5-6H2,2-3H3,(H3,12,13,15,16,17,18)
InChIKeyGFUSAQRVVZNKHP-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.01
Rot. Bonds7

About 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea

1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea (PubChem CID 134297550) has the molecular formula C11H18N6O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea.

Molecular Properties

Compound Name1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea
PubChem CID134297550
Molecular FormulaC11H18N6O3S
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC Name1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea
SMILESC=CNC(=O)Nc1nc(C)cc(NCCNS(C)(=O)=O)n1
InChIInChI=1S/C11H18N6O3S/c1-4-12-11(18)17-10-15-8(2)7-9(16-10)13-5-6-14-21(3,19)20/h4,7,14H,1,5-6H2,2-3H3,(H3,12,13,15,16,17,18)
InChIKeyGFUSAQRVVZNKHP-UHFFFAOYSA-N
XLogP0.01
TPSA125.11 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]-3-quinolin-2-ylurea
CID 134284821
N-[3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332206
1-isoquinolin-6-yl-3-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]urea
CID 157343198
N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114564127
1-(1-benzofuran-5-yl)-3-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]urea
CID 147019102
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
6-methyl-2-N,4-N-bis(prop-2-enyl)pyrimidine-2,4-diamine
CID 112907684
N-[2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 106770814
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
N-dimethyl-N-[2-[[6-methyl-2-(phenylcarbamoylamino)pyrimidin-4-yl]amino]ethyl]boronamidic acid
CID 140900566
methyl N-[2-[[6-methyl-2-[(3-methylphenyl)carbamoylamino]pyrimidin-4-yl]amino]ethyl]carbamate
CID 135312676

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea?
The IUPAC name of 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea (CID 134297550) is 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea.
What is the SMILES notation for 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea?
The canonical SMILES for 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea is C=CNC(=O)Nc1nc(C)cc(NCCNS(C)(=O)=O)n1.
What is the InChIKey of 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea?
The InChIKey is GFUSAQRVVZNKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3S/c1-4-12-11(18)17-10-15-8(2)7-9(16-10)13-5-6-14-21(3,19)20/h4,7,14H,1,5-6H2,2-3H3,(H3,12,13,15,16,17,18).
What are the key properties of 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea?
1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea has a molecular weight of 314.37 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[4-[2-(methanesulfonamido)ethylamino]-6-methylpyrimidin-2-yl]urea is sourced from PubChem (CID 134297550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).