4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine

C17H24N6S — CID 50977742

IUPAC4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine
SMILESCCSc1ncc(CN2CCN(c3nc(C)ncc3C)CC2)cn1
InChIInChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-13(2)9-18-14(3)21-16/h9-11H,4-8,12H2,1-3H3
InChIKeyRGNKNVBKJGKPFZ-UHFFFAOYSA-N
MW344.49 g/mol
LogP2.32
Rot. Bonds5

About 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine

4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine (PubChem CID 50977742) has the molecular formula C17H24N6S and a molecular weight of 344.49 g/mol. Its IUPAC name is 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine
PubChem CID50977742
Molecular FormulaC17H24N6S
Molecular Weight344.49 g/mol
Exact Mass344.18
IUPAC Name4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine
SMILESCCSc1ncc(CN2CCN(c3nc(C)ncc3C)CC2)cn1
InChIInChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-13(2)9-18-14(3)21-16/h9-11H,4-8,12H2,1-3H3
InChIKeyRGNKNVBKJGKPFZ-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-{[(5-methyl-2-pyrimidinyl)thio]methyl}-4-pyrimidinamine
CID 1251567
N-methyl-2-piperidin-1-yl-N-[(2-propylsulfanylpyrimidin-5-yl)methyl]ethanamine
CID 46963072
2-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-5-methylpyrimidin-4-amine
CID 50968383
5-{[4-(3,6-Dimethylpyrazin-2-yl)piperazin-1-yl]methyl}-2-(ethylthio)pyrimidine
CID 56709413
(2-{2-[2-(ethylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56874529
5-Methyl-4-{4-[2-(methylthio)ethyl]piperazin-1-yl}pyrimidin-2-amine
CID 72857715
2-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethylsulfanyl]pyrimidine
CID 141438688
2-Tert-butylsulfanyl-5-[2-(2-tert-butylsulfanylpyrimidin-5-yl)ethynyl]pyrimidine
CID 139227056
5-Fluoro-2-(4-{[2-(propylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)pyrimidine
CID 50978300
4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139023254
4-[4-(5-Fluoropyrimidin-4-yl)piperazin-1-yl]-5-methylpyrimidine
CID 139028614
4-[4-(5-Fluoropyrimidin-2-yl)piperazin-1-yl]-5-methyl-2-(methylsulfanyl)pyrimidine
CID 155798281

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine?
The IUPAC name of 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine (CID 50977742) is 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine?
The canonical SMILES for 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine is CCSc1ncc(CN2CCN(c3nc(C)ncc3C)CC2)cn1.
What is the InChIKey of 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine?
The InChIKey is RGNKNVBKJGKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6S/c1-4-24-17-19-10-15(11-20-17)12-22-5-7-23(8-6-22)16-13(2)9-18-14(3)21-16/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine?
4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine has a molecular weight of 344.49 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]piperazin-1-yl]-2,5-dimethylpyrimidine is sourced from PubChem (CID 50977742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).