6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

C13H23N5S — CID 80833597

IUPAC6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(C)C(C)C2)nc(SC)n1
InChIInChI=1S/C13H23N5S/c1-5-14-11-8-12(16-13(15-11)19-4)18-7-6-17(3)10(2)9-18/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyJVHKUVXRAPIOMQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.77
Rot. Bonds4

About 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine

6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80833597) has the molecular formula C13H23N5S and a molecular weight of 281.43 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80833597
Molecular FormulaC13H23N5S
Molecular Weight281.43 g/mol
Exact Mass281.17
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(N2CCN(C)C(C)C2)nc(SC)n1
InChIInChI=1S/C13H23N5S/c1-5-14-11-8-12(16-13(15-11)19-4)18-7-6-17(3)10(2)9-18/h8,10H,5-7,9H2,1-4H3,(H,14,15,16)
InChIKeyJVHKUVXRAPIOMQ-UHFFFAOYSA-N
XLogP1.77
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80834108
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556
N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80804466
6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80826076
4-chloro-6-(3-ethyl-4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine
CID 80547105
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80785670
1-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674572
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 104961797
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 80833597) is 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(N2CCN(C)C(C)C2)nc(SC)n1.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is JVHKUVXRAPIOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5S/c1-5-14-11-8-12(16-13(15-11)19-4)18-7-6-17(3)10(2)9-18/h8,10H,5-7,9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine?
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 281.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80833597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).