1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide

C11H16N6O3S — CID 106089332

IUPAC1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2cnn(CCN)c2)n1
InChIInChI=1S/C11H16N6O3S/c1-8-5-10(20-2)15-11(14-8)16-21(18,19)9-6-13-17(7-9)4-3-12/h5-7H,3-4,12H2,1-2H3,(H,14,15,16)
InChIKeySQTQBYKICNWCPN-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.25
Rot. Bonds6

About 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide (PubChem CID 106089332) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
PubChem CID106089332
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2cnn(CCN)c2)n1
InChIInChI=1S/C11H16N6O3S/c1-8-5-10(20-2)15-11(14-8)16-21(18,19)9-6-13-17(7-9)4-3-12/h5-7H,3-4,12H2,1-2H3,(H,14,15,16)
InChIKeySQTQBYKICNWCPN-UHFFFAOYSA-N
XLogP-0.25
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)ethanesulfonamide
CID 107605614
1-(2-aminoethyl)-N-(5-chloro-2-methoxyphenyl)pyrazole-4-sulfonamide
CID 106059592
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087966
4-hydroxy-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601659
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 107601171
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
4-amino-3-bromo-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107605453
1-(2-aminoethyl)-N-[(1-methoxycyclobutyl)methyl]pyrazole-4-sulfonamide
CID 106090909
N-[4-methoxy-6-(2-propan-2-ylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 170393410
4-amino-3-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 107601166
5-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-sulfonamide
CID 107605465

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide (CID 106089332) is 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide is COc1cc(C)nc(NS(=O)(=O)c2cnn(CCN)c2)n1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
The InChIKey is SQTQBYKICNWCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c1-8-5-10(20-2)15-11(14-8)16-21(18,19)9-6-13-17(7-9)4-3-12/h5-7H,3-4,12H2,1-2H3,(H,14,15,16).
What are the key properties of 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106089332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).