2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide

C12H20N4O3S — CID 82743253

IUPAC2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C2CCOC2C)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-13-12-14-7-10(8-15-12)20(17,18)16(3)11-5-6-19-9(11)2/h7-9,11H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyQIYGGAJBEAWMIU-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.71
Rot. Bonds5

About 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide

2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide (PubChem CID 82743253) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
PubChem CID82743253
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC Name2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)N(C)C2CCOC2C)cn1
InChIInChI=1S/C12H20N4O3S/c1-4-13-12-14-7-10(8-15-12)20(17,18)16(3)11-5-6-19-9(11)2/h7-9,11H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyQIYGGAJBEAWMIU-UHFFFAOYSA-N
XLogP0.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(ethylamino)-N-methylpyrimidine-5-sulfonamide
CID 62148862
4-(ethylaminomethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82729543
2-(ethylamino)-N-methyl-N-(oxan-4-ylmethyl)pyrimidine-5-sulfonamide
CID 63706928
4-N-methyl-4-N-(2-methyloxolan-3-yl)benzene-1,4-disulfonamide
CID 82729852
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82734442
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82729501
2-hydrazinyl-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82740399
2-(hydroxymethyl)-N-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82745252
2-(ethylamino)-N-methyl-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106936969
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
5-(chloromethyl)-N-methyl-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 82745504

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide (CID 82743253) is 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)N(C)C2CCOC2C)cn1.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide?
The InChIKey is QIYGGAJBEAWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-4-13-12-14-7-10(8-15-12)20(17,18)16(3)11-5-6-19-9(11)2/h7-9,11H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide?
2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(2-methyloxolan-3-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 82743253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).