4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride

C16H30Cl2N6O3S — CID 154902331

IUPAC4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.Cl.Cl
InChIInChI=1S/C16H28N6O3S.2ClH/c1-20(2)26(23,24)22-6-4-21(5-7-22)16-10-14(12-8-13(17)9-12)18-15(19-16)11-25-3;;/h10,12-13H,4-9,11,17H2,1-3H3;2*1H
InChIKeyZDRBJWGTDGXLBT-UHFFFAOYSA-N
MW457.43 g/mol
LogP0.60
Rot. Bonds6

About 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride

4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride (PubChem CID 154902331) has the molecular formula C16H30Cl2N6O3S and a molecular weight of 457.43 g/mol. Its IUPAC name is 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
PubChem CID154902331
Molecular FormulaC16H30Cl2N6O3S
Molecular Weight457.43 g/mol
Exact Mass456.15
IUPAC Name4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride
SMILESCOCc1nc(C2CC(N)C2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.Cl.Cl
InChIInChI=1S/C16H28N6O3S.2ClH/c1-20(2)26(23,24)22-6-4-21(5-7-22)16-10-14(12-8-13(17)9-12)18-15(19-16)11-25-3;;/h10,12-13H,4-9,11,17H2,1-3H3;2*1H
InChIKeyZDRBJWGTDGXLBT-UHFFFAOYSA-N
XLogP0.60
TPSA104.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]piperidin-4-yl]methanesulfonamide;dihydrochloride
CID 154902260
3-[2-(methoxymethyl)-6-[4-(methylsulfanylmethyl)piperidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902827
3-[2-(methoxymethyl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902523
3-[2-(methoxymethyl)-6-(4-pyridin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91782421
3-[2-(methoxymethyl)-6-(4-thiomorpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]cyclobutan-1-amine
CID 91766574
3-[2-(methoxymethyl)-6-(6-oxa-9-azaspiro[4.5]decan-9-yl)pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154903312
3-[2-(methoxymethyl)-6-[3-(1,3-thiazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 91768169
1-[4-[6-(3-aminocyclobutyl)-2-cyclopropylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-methoxyethanone;dihydrochloride
CID 154901743
4-(3-aminocyclobutyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 91798018
6-(3-aminocyclobutyl)-N-[(5-tert-butylpyrazolidin-3-yl)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 133264661
4-[2-[2-(4-methoxyphenyl)ethyl]-6-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
CID 123414703
ethyl 4-[2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 119064029

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride?
The IUPAC name of 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride (CID 154902331) is 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride.
What is the SMILES notation for 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride?
The canonical SMILES for 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride is COCc1nc(C2CC(N)C2)cc(N2CCN(S(=O)(=O)N(C)C)CC2)n1.Cl.Cl.
What is the InChIKey of 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride?
The InChIKey is ZDRBJWGTDGXLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O3S.2ClH/c1-20(2)26(23,24)22-6-4-21(5-7-22)16-10-14(12-8-13(17)9-12)18-15(19-16)11-25-3;;/h10,12-13H,4-9,11,17H2,1-3H3;2*1H.
What are the key properties of 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride?
4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride has a molecular weight of 457.43 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-aminocyclobutyl)-2-(methoxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide;dihydrochloride is sourced from PubChem (CID 154902331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).