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

C12H21N5S — CID 80834108

IUPAC6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)C(C)C2)nc(SC)n1
InChIInChI=1S/C12H21N5S/c1-9-8-17(6-5-16(9)3)11-7-10(13-2)14-12(15-11)18-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeySMJHRADCMPFFFH-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.38
Rot. Bonds3

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

6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80834108) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80834108
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C)C(C)C2)nc(SC)n1
InChIInChI=1S/C12H21N5S/c1-9-8-17(6-5-16(9)3)11-7-10(13-2)14-12(15-11)18-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeySMJHRADCMPFFFH-UHFFFAOYSA-N
XLogP1.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80854581
[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-3-yl]methanol
CID 80792404
N-methyl-2-methylsulfanyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-4-amine
CID 80847744
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-ol
CID 80763962
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80796740
[6-(3,4-dimethylpiperazin-1-yl)-2-methylpyrimidin-4-yl]hydrazine
CID 80910003
2-[1-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 114802808
N-methyl-2-methylsulfanyl-6-(3-methylthiomorpholin-4-yl)pyrimidin-4-amine
CID 80835888
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
6-(1,3-dihydroisoindol-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80822675

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80834108) is 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(N2CCN(C)C(C)C2)nc(SC)n1.
What is the InChIKey of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is SMJHRADCMPFFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-9-8-17(6-5-16(9)3)11-7-10(13-2)14-12(15-11)18-4/h7,9H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(3,4-dimethylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 1.38, 3 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-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80834108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).