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

C14H20N6S — CID 80976129

IUPAC2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-11-17-12(15)10(2)13(18-11)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9H,3,5-8H2,1-2H3,(H2,15,17,18)
InChIKeyRBQBERDJIBSKTJ-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.71
Rot. Bonds3

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

2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 80976129) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID80976129
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC Name2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-11-17-12(15)10(2)13(18-11)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9H,3,5-8H2,1-2H3,(H2,15,17,18)
InChIKeyRBQBERDJIBSKTJ-UHFFFAOYSA-N
XLogP1.71
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80754526
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81108410
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409073
6-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80992034
2-ethyl-5-methyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 80977439
N-[[5,6-dimethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]ethanamine
CID 118883278
6-(4-ethoxypiperidin-1-yl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80987233
5-propan-2-yl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine
CID 80757343
2-ethyl-5-methyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541811
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62752365

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine (CID 80976129) is 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is CCc1nc(N)c(C)c(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is RBQBERDJIBSKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-11-17-12(15)10(2)13(18-11)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9H,3,5-8H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine?
2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 304.42 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 80976129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).