N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

C18H21N5O3S — CID 170393410

IUPACN-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1
InChIInChI=1S/C18H21N5O3S/c1-12(2)14-7-5-6-8-15(14)16-9-17(26-4)21-18(20-16)22-27(24,25)13-10-19-23(3)11-13/h5-12H,1-4H3,(H,20,21,22)
InChIKeyLCCROVBPDPMGLP-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.81
Rot. Bonds6

About N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide

N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 170393410) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID170393410
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCOc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1
InChIInChI=1S/C18H21N5O3S/c1-12(2)14-7-5-6-8-15(14)16-9-17(26-4)21-18(20-16)22-27(24,25)13-10-19-23(3)11-13/h5-12H,1-4H3,(H,20,21,22)
InChIKeyLCCROVBPDPMGLP-UHFFFAOYSA-N
XLogP2.81
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide (CID 170393410) is N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is COc1cc(-c2ccccc2C(C)C)nc(NS(=O)(=O)c2cnn(C)c2)n1.
What is the InChIKey of N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is LCCROVBPDPMGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-12(2)14-7-5-6-8-15(14)16-9-17(26-4)21-18(20-16)22-27(24,25)13-10-19-23(3)11-13/h5-12H,1-4H3,(H,20,21,22).
What are the key properties of N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 387.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 170393410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).