N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C9H15N3O4S — CID 3320329

IUPACN-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3O4S/c1-5-6(7(13)11-8(14)10-5)17(15,16)12-9(2,3)4/h12H,1-4H3,(H2,10,11,13,14)
InChIKeyTUJSRTDNYWFIKC-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.55
Rot. Bonds2

About N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 3320329) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID3320329
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC NameN-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H15N3O4S/c1-5-6(7(13)11-8(14)10-5)17(15,16)12-9(2,3)4/h12H,1-4H3,(H2,10,11,13,14)
InChIKeyTUJSRTDNYWFIKC-UHFFFAOYSA-N
XLogP-0.55
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 3320329) is N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is TUJSRTDNYWFIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-5-6(7(13)11-8(14)10-5)17(15,16)12-9(2,3)4/h12H,1-4H3,(H2,10,11,13,14).
What are the key properties of N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 261.30 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 3320329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).