5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine

C12H16N6S — CID 80754526

IUPAC5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6S/c1-9-10(13)15-8-16-11(9)17-3-5-18(6-4-17)12-14-2-7-19-12/h2,7-8H,3-6H2,1H3,(H2,13,15,16)
InChIKeyWGFYYBPTMPMWSH-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.15
Rot. Bonds2

About 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine

5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 80754526) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID80754526
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCc1c(N)ncnc1N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H16N6S/c1-9-10(13)15-8-16-11(9)17-3-5-18(6-4-17)12-14-2-7-19-12/h2,7-8H,3-6H2,1H3,(H2,13,15,16)
InChIKeyWGFYYBPTMPMWSH-UHFFFAOYSA-N
XLogP1.15
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80976129
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
1-(6-amino-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108883
6-(4,4-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80823749
6-(4-cyclopropylpiperazin-1-yl)-5-methylpyrimidin-4-amine
CID 80799407
5-methyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795248
5-methyl-6-(4-propylpiperazin-1-yl)pyrimidin-4-amine
CID 80757172
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
5-methyl-6-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-4-amine
CID 80824589
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
6-(4,4-diethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 80831059

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (CID 80754526) is 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is Cc1c(N)ncnc1N1CCN(c2nccs2)CC1.
What is the InChIKey of 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is WGFYYBPTMPMWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-9-10(13)15-8-16-11(9)17-3-5-18(6-4-17)12-14-2-7-19-12/h2,7-8H,3-6H2,1H3,(H2,13,15,16).
What are the key properties of 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 276.37 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80754526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).