N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine

C15H26N6O2S — CID 122340459

IUPACN,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H26N6O2S/c1-13-16-14(18(2)3)12-15(17-13)19-8-10-21(11-9-19)24(22,23)20-6-4-5-7-20/h12H,4-11H2,1-3H3
InChIKeyKTRUCRMKXNJERM-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.31
Rot. Bonds4

About N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine

N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 122340459) has the molecular formula C15H26N6O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID122340459
Molecular FormulaC15H26N6O2S
Molecular Weight354.48 g/mol
Exact Mass354.18
IUPAC NameN,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCc1nc(N(C)C)cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)n1
InChIInChI=1S/C15H26N6O2S/c1-13-16-14(18(2)3)12-15(17-13)19-8-10-21(11-9-19)24(22,23)20-6-4-5-7-20/h12H,4-11H2,1-3H3
InChIKeyKTRUCRMKXNJERM-UHFFFAOYSA-N
XLogP0.31
TPSA72.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine 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

6-[4-(1,2-dimethylimidazol-4-yl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340437
6-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340397
N,N,2-trimethyl-6-[4-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperazin-1-yl]pyrimidin-4-amine
CID 122340410
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 50748470
6-[4-[(3-fluorophenyl)methylsulfonyl]piperazin-1-yl]-N,N,2-trimethylpyrimidin-4-amine
CID 122340404
5-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonyl-2-methoxybenzamide
CID 122340441
3-cyclohexyl-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 70703338
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 122340192
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 122340355
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
3-pyrrolidin-1-yl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyridazine
CID 122334543
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 122340314

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine (CID 122340459) is N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine is Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)N3CCCC3)CC2)n1.
What is the InChIKey of N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is KTRUCRMKXNJERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2S/c1-13-16-14(18(2)3)12-15(17-13)19-8-10-21(11-9-19)24(22,23)20-6-4-5-7-20/h12H,4-11H2,1-3H3.
What are the key properties of N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 354.48 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-6-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 122340459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).