4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine

C16H21N5S — CID 165432585

IUPAC4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCN(Cc3ncccc3C)CC2)n1
InChIInChI=1S/C16H21N5S/c1-13-4-3-6-17-14(13)12-20-8-10-21(11-9-20)15-5-7-18-16(19-15)22-2/h3-7H,8-12H2,1-2H3
InChIKeyLTZUAMBFZQUGTD-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.22
Rot. Bonds4

About 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine

4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine (PubChem CID 165432585) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
PubChem CID165432585
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
SMILESCSc1nccc(N2CCN(Cc3ncccc3C)CC2)n1
InChIInChI=1S/C16H21N5S/c1-13-4-3-6-17-14(13)12-20-8-10-21(11-9-20)15-5-7-18-16(19-15)22-2/h3-7H,8-12H2,1-2H3
InChIKeyLTZUAMBFZQUGTD-UHFFFAOYSA-N
XLogP2.22
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171690471
4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 50980313
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
6-(azepan-1-yl)-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 42199344
4-cyclopropyl-6-[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 166601340
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
4-(difluoromethyl)-6-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 171995161
4,5-dimethyl-3-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridazine
CID 146038387
4-methyl-2-methylsulfanyl-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337761
7-methyl-2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]purine
CID 157019637
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
1,3-dimethyl-5-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyrazolo[5,4-d][1,3]thiazole
CID 72889738

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine (CID 165432585) is 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine is CSc1nccc(N2CCN(Cc3ncccc3C)CC2)n1.
What is the InChIKey of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
The InChIKey is LTZUAMBFZQUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-13-4-3-6-17-14(13)12-20-8-10-21(11-9-20)15-5-7-18-16(19-15)22-2/h3-7H,8-12H2,1-2H3.
What are the key properties of 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine?
4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine has a molecular weight of 315.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-2-methylsulfanylpyrimidine is sourced from PubChem (CID 165432585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).