2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide

C12H17N5O3S — CID 106389711

IUPAC2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(C)c2ncc(C)o2)cn1
InChIInChI=1S/C12H17N5O3S/c1-4-13-12-15-6-10(7-16-12)21(18,19)17-9(3)11-14-5-8(2)20-11/h5-7,9,17H,4H2,1-3H3,(H,13,15,16)
InChIKeyKSMYESXCBCGTKO-UHFFFAOYSA-N
MW311.37 g/mol
LogP1.24
Rot. Bonds6

About 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide

2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide (PubChem CID 106389711) has the molecular formula C12H17N5O3S and a molecular weight of 311.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
PubChem CID106389711
Molecular FormulaC12H17N5O3S
Molecular Weight311.37 g/mol
Exact Mass311.11
IUPAC Name2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC(C)c2ncc(C)o2)cn1
InChIInChI=1S/C12H17N5O3S/c1-4-13-12-15-6-10(7-16-12)21(18,19)17-9(3)11-14-5-8(2)20-11/h5-7,9,17H,4H2,1-3H3,(H,13,15,16)
InChIKeyKSMYESXCBCGTKO-UHFFFAOYSA-N
XLogP1.24
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390084
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
5-amino-2-ethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387570
3-(aminomethyl)-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106390169
2,5-dibromo-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 103947083
5-bromo-2-N-ethyl-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 106390355
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
N-(2,3-dimethylbutyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 64582754

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide (CID 106389711) is 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide is CCNc1ncc(S(=O)(=O)NC(C)c2ncc(C)o2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide?
The InChIKey is KSMYESXCBCGTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O3S/c1-4-13-12-15-6-10(7-16-12)21(18,19)17-9(3)11-14-5-8(2)20-11/h5-7,9,17H,4H2,1-3H3,(H,13,15,16).
What are the key properties of 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide?
2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidine-5-sulfonamide is sourced from PubChem (CID 106389711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).