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

C17H26N6S — CID 166136014

IUPAC4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCc1nc(CN2CCN(c3cc(C)nc(N(C)C)n3)CC2)cs1
InChIInChI=1S/C17H26N6S/c1-5-16-19-14(12-24-16)11-22-6-8-23(9-7-22)15-10-13(2)18-17(20-15)21(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyUUUAKEXLZDEMFO-UHFFFAOYSA-N
MW346.50 g/mol
LogP2.19
Rot. Bonds5

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

4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 166136014) has the molecular formula C17H26N6S and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
PubChem CID166136014
Molecular FormulaC17H26N6S
Molecular Weight346.50 g/mol
Exact Mass346.19
IUPAC Name4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
SMILESCCc1nc(CN2CCN(c3cc(C)nc(N(C)C)n3)CC2)cs1
InChIInChI=1S/C17H26N6S/c1-5-16-19-14(12-24-16)11-22-6-8-23(9-7-22)15-10-13(2)18-17(20-15)21(3)4/h10,12H,5-9,11H2,1-4H3
InChIKeyUUUAKEXLZDEMFO-UHFFFAOYSA-N
XLogP2.19
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine with MolForge

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Related Compounds

4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272943
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272934
4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 133272930
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
N,N,4-trimethyl-6-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166136017
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
2-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 60508451
2-ethyl-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 31418875

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine (CID 166136014) is 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is CCc1nc(CN2CCN(c3cc(C)nc(N(C)C)n3)CC2)cs1.
What is the InChIKey of 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is UUUAKEXLZDEMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6S/c1-5-16-19-14(12-24-16)11-22-6-8-23(9-7-22)15-10-13(2)18-17(20-15)21(3)4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine?
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 346.50 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 166136014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).