4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride

C15H22Cl2N6O2S — CID 154902680

IUPAC4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6O2S.2ClH/c16-11-5-10(6-11)13-7-14(21-15(17)20-13)19-8-9-1-3-12(4-2-9)24(18,22)23;;/h1-4,7,10-11H,5-6,8,16H2,(H2,18,22,23)(H3,17,19,20,21);2*1H
InChIKeyYUVVEGGIPKOWGZ-UHFFFAOYSA-N
MW421.35 g/mol
LogP1.37
Rot. Bonds5

About 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride

4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride (PubChem CID 154902680) has the molecular formula C15H22Cl2N6O2S and a molecular weight of 421.35 g/mol. Its IUPAC name is 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
PubChem CID154902680
Molecular FormulaC15H22Cl2N6O2S
Molecular Weight421.35 g/mol
Exact Mass420.09
IUPAC Name4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6O2S.2ClH/c16-11-5-10(6-11)13-7-14(21-15(17)20-13)19-8-9-1-3-12(4-2-9)24(18,22)23;;/h1-4,7,10-11H,5-6,8,16H2,(H2,18,22,23)(H3,17,19,20,21);2*1H
InChIKeyYUVVEGGIPKOWGZ-UHFFFAOYSA-N
XLogP1.37
TPSA150.01 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride (CID 154902680) is 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride is Cl.Cl.Nc1nc(NCc2ccc(S(N)(=O)=O)cc2)cc(C2CC(N)C2)n1.
What is the InChIKey of 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride?
The InChIKey is YUVVEGGIPKOWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S.2ClH/c16-11-5-10(6-11)13-7-14(21-15(17)20-13)19-8-9-1-3-12(4-2-9)24(18,22)23;;/h1-4,7,10-11H,5-6,8,16H2,(H2,18,22,23)(H3,17,19,20,21);2*1H.
What are the key properties of 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride?
4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride has a molecular weight of 421.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 154902680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).