N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

C21H29N5O2S — CID 122346257

IUPACN-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1
InChIInChI=1S/C21H29N5O2S/c1-3-22-20-14-16(2)23-21(24-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,22,23,24)
InChIKeyYZDWQHJHZKGOJQ-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.61
Rot. Bonds5

About N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 122346257) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID122346257
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC NameN-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1
InChIInChI=1S/C21H29N5O2S/c1-3-22-20-14-16(2)23-21(24-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,22,23,24)
InChIKeyYZDWQHJHZKGOJQ-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-methyl-2-[4-(1,2-oxazol-4-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine
CID 122346293
N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 39730276
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-6-methylpyrimidin-4-amine
CID 18566578
N-ethyl-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 122346272
N-ethyl-2-nitro-5-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]aniline
CID 2968085
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-(4-ethylphenyl)sulfonylpiperazin-1-yl]-4-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 44826825
2-piperidin-1-yl-4-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidine
CID 122344254
2-[4-(3-chloro-4-methylphenyl)sulfonylpiperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 122346548
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpiperazine
CID 32737600
2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4,6-dimethylpyrimidine
CID 36551128

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine (CID 122346257) is N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is CCNc1cc(C)nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is YZDWQHJHZKGOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-3-22-20-14-16(2)23-21(24-20)25-10-12-26(13-11-25)29(27,28)19-9-8-17-6-4-5-7-18(17)15-19/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 415.56 g/mol, XLogP of 2.61, 5 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-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 122346257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).