4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide

C15H19N5O3S — CID 119072706

IUPAC4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
SMILESNc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CCOC2)n1
InChIInChI=1S/C15H19N5O3S/c16-15-19-13(11-5-6-23-9-11)7-14(20-15)18-8-10-1-3-12(4-2-10)24(17,21)22/h1-4,7,11H,5-6,8-9H2,(H2,17,21,22)(H3,16,18,19,20)
InChIKeyNGYIXIKMRDIZMA-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.82
Rot. Bonds5

About 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide

4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide (PubChem CID 119072706) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
PubChem CID119072706
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC Name4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
SMILESNc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CCOC2)n1
InChIInChI=1S/C15H19N5O3S/c16-15-19-13(11-5-6-23-9-11)7-14(20-15)18-8-10-1-3-12(4-2-10)24(17,21)22/h1-4,7,11H,5-6,8-9H2,(H2,17,21,22)(H3,16,18,19,20)
InChIKeyNGYIXIKMRDIZMA-UHFFFAOYSA-N
XLogP0.82
TPSA133.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide (CID 119072706) is 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide is Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CCOC2)n1.
What is the InChIKey of 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
The InChIKey is NGYIXIKMRDIZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c16-15-19-13(11-5-6-23-9-11)7-14(20-15)18-8-10-1-3-12(4-2-10)24(17,21)22/h1-4,7,11H,5-6,8-9H2,(H2,17,21,22)(H3,16,18,19,20).
What are the key properties of 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide?
4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 119072706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).