N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

C12H19N3O3S — CID 119071563

IUPACN-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccnc(C(C)C)n1
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)8-7-14-12(16)10-5-6-13-11(15-10)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyZUNKMKKIBZGCDO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.76
Rot. Bonds6

About N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide

N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 119071563) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID119071563
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCS(=O)(=O)CCNC(=O)c1ccnc(C(C)C)n1
InChIInChI=1S/C12H19N3O3S/c1-4-19(17,18)8-7-14-12(16)10-5-6-13-11(15-10)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,16)
InChIKeyZUNKMKKIBZGCDO-UHFFFAOYSA-N
XLogP0.76
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 119071563) is N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is CCS(=O)(=O)CCNC(=O)c1ccnc(C(C)C)n1.
What is the InChIKey of N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is ZUNKMKKIBZGCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-4-19(17,18)8-7-14-12(16)10-5-6-13-11(15-10)9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 119071563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).