4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine

C15H20N6OS — CID 171326447

IUPAC4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1cc(N2CCN(c3cc(C)nc(SC)n3)CC2)ncn1
InChIInChI=1S/C15H20N6OS/c1-11-8-13(19-15(18-11)23-3)21-6-4-20(5-7-21)12-9-14(22-2)17-10-16-12/h8-10H,4-7H2,1-3H3
InChIKeyBCZINQLOLKTUDK-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.63
Rot. Bonds4

About 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine

4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 171326447) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
PubChem CID171326447
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
SMILESCOc1cc(N2CCN(c3cc(C)nc(SC)n3)CC2)ncn1
InChIInChI=1S/C15H20N6OS/c1-11-8-13(19-15(18-11)23-3)21-6-4-20(5-7-21)12-9-14(22-2)17-10-16-12/h8-10H,4-7H2,1-3H3
InChIKeyBCZINQLOLKTUDK-UHFFFAOYSA-N
XLogP1.63
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 155800473
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
CID 171327993
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
4-methoxy-6-(4-propan-2-ylpiperazin-1-yl)pyrimidine
CID 175647933
4-[4-(2-bromoethyl)piperazin-1-yl]-6-methoxypyrimidine
CID 80673097
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine
CID 163353209
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyridin-2-amine
CID 66318979
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
N-(2-methoxy-5-methylphenyl)-6-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-amine
CID 99968578
4-[[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 154853553

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine (CID 171326447) is 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine is COc1cc(N2CCN(c3cc(C)nc(SC)n3)CC2)ncn1.
What is the InChIKey of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is BCZINQLOLKTUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-11-8-13(19-15(18-11)23-3)21-6-4-20(5-7-21)12-9-14(22-2)17-10-16-12/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine?
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 332.43 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 171326447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).