N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide

C15H22N6O3S — CID 136665694

IUPACN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(c3cc(=O)[nH]c(N(C)C)n3)C2)n(C)n1
InChIInChI=1S/C15H22N6O3S/c1-9-5-14(21(4)18-9)25(23,24)19-11-6-10(7-11)12-8-13(22)17-15(16-12)20(2)3/h5,8,10-11,19H,6-7H2,1-4H3,(H,16,17,22)
InChIKeyMITWQVRZEDHCES-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.10
Rot. Bonds5

About N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide

N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide (PubChem CID 136665694) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide
PubChem CID136665694
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide
SMILESCc1cc(S(=O)(=O)NC2CC(c3cc(=O)[nH]c(N(C)C)n3)C2)n(C)n1
InChIInChI=1S/C15H22N6O3S/c1-9-5-14(21(4)18-9)25(23,24)19-11-6-10(7-11)12-8-13(22)17-15(16-12)20(2)3/h5,8,10-11,19H,6-7H2,1-4H3,(H,16,17,22)
InChIKeyMITWQVRZEDHCES-UHFFFAOYSA-N
XLogP0.10
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide?
The IUPAC name of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide (CID 136665694) is N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide is Cc1cc(S(=O)(=O)NC2CC(c3cc(=O)[nH]c(N(C)C)n3)C2)n(C)n1.
What is the InChIKey of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide?
The InChIKey is MITWQVRZEDHCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-9-5-14(21(4)18-9)25(23,24)19-11-6-10(7-11)12-8-13(22)17-15(16-12)20(2)3/h5,8,10-11,19H,6-7H2,1-4H3,(H,16,17,22).
What are the key properties of N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide?
N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]cyclobutyl]-2,5-dimethylpyrazole-3-sulfonamide is sourced from PubChem (CID 136665694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).