N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine

C12H21N5O2S — CID 39730276

IUPACN-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-4-13-11-9-10(2)14-12(15-11)16-5-7-17(8-6-16)20(3,18)19/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyONSKPYGCONESOU-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.30
Rot. Bonds4

About N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine

N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 39730276) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID39730276
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C12H21N5O2S/c1-4-13-11-9-10(2)14-12(15-11)16-5-7-17(8-6-16)20(3,18)19/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyONSKPYGCONESOU-UHFFFAOYSA-N
XLogP0.30
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 122346272
N-ethyl-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 62190895
1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 18566443
N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346257
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
6-methyl-2-(4-methylpiperazin-1-yl)-N-propylpyrimidin-4-amine
CID 62191776
3-cyclopentyl-1-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 121031730
[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 122346193

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine (CID 39730276) is N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is ONSKPYGCONESOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-4-13-11-9-10(2)14-12(15-11)16-5-7-17(8-6-16)20(3,18)19/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine?
N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 39730276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).