4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine

C16H22N6S — CID 23936511

IUPAC4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2cc(C)nc(N3CCN(C)CC3)n2)n1
InChIInChI=1S/C16H22N6S/c1-11-9-12(2)19-16(18-11)23-14-10-13(3)17-15(20-14)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3
InChIKeyRPRHBTAVBBZXGZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.09
Rot. Bonds3

About 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine

4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine (PubChem CID 23936511) has the molecular formula C16H22N6S and a molecular weight of 330.46 g/mol. Its IUPAC name is 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine
PubChem CID23936511
Molecular FormulaC16H22N6S
Molecular Weight330.46 g/mol
Exact Mass330.16
IUPAC Name4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine
SMILESCc1cc(C)nc(Sc2cc(C)nc(N3CCN(C)CC3)n2)n1
InChIInChI=1S/C16H22N6S/c1-11-9-12(2)19-16(18-11)23-14-10-13(3)17-15(20-14)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3
InChIKeyRPRHBTAVBBZXGZ-UHFFFAOYSA-N
XLogP2.09
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine (CID 23936511) is 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine is Cc1cc(C)nc(Sc2cc(C)nc(N3CCN(C)CC3)n2)n1.
What is the InChIKey of 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine?
The InChIKey is RPRHBTAVBBZXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6S/c1-11-9-12(2)19-16(18-11)23-14-10-13(3)17-15(20-14)22-7-5-21(4)6-8-22/h9-10H,5-8H2,1-4H3.
What are the key properties of 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine?
4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine has a molecular weight of 330.46 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]sulfanylpyrimidine is sourced from PubChem (CID 23936511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).