N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine

C14H21N7O2S — CID 122346272

IUPACN-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C14H21N7O2S/c1-3-16-12-8-11(2)18-14(19-12)20-4-6-21(7-5-20)24(22,23)13-9-15-10-17-13/h8-10H,3-7H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyKOXWUMXKZSPXCR-UHFFFAOYSA-N
MW351.44 g/mol
LogP0.45
Rot. Bonds5

About N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine

N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 122346272) has the molecular formula C14H21N7O2S and a molecular weight of 351.44 g/mol. Its IUPAC name is N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID122346272
Molecular FormulaC14H21N7O2S
Molecular Weight351.44 g/mol
Exact Mass351.15
IUPAC NameN-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)n1
InChIInChI=1S/C14H21N7O2S/c1-3-16-12-8-11(2)18-14(19-12)20-4-6-21(7-5-20)24(22,23)13-9-15-10-17-13/h8-10H,3-7H2,1-2H3,(H,15,17)(H,16,18,19)
InChIKeyKOXWUMXKZSPXCR-UHFFFAOYSA-N
XLogP0.45
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 39730276
N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293
4-[4-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]morpholine
CID 122340139
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346257
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
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 165433324
(5-bromo-3-pyridinyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346104
(3,5-dimethylphenyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 18566483
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazine
CID 122339379
2-(4-ethylsulfonylpiperazin-1-yl)-6-methyl-N-phenylpyrimidin-4-amine
CID 53093475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine (CID 122346272) is N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)n1.
What is the InChIKey of N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is KOXWUMXKZSPXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2S/c1-3-16-12-8-11(2)18-14(19-12)20-4-6-21(7-5-20)24(22,23)13-9-15-10-17-13/h8-10H,3-7H2,1-2H3,(H,15,17)(H,16,18,19).
What are the key properties of N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine?
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 351.44 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 122346272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).