6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine

C12H21N5S — CID 82892090

IUPAC6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCN2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5S/c1-10-9-11(13)15-12(14-10)18-8-7-17-5-3-16(2)4-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyYYRWRHSZCCDWPQ-UHFFFAOYSA-N
MW267.40 g/mol
LogP0.71
Rot. Bonds4

About 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine

6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 82892090) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine
PubChem CID82892090
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCN2CCN(C)CC2)n1
InChIInChI=1S/C12H21N5S/c1-10-9-11(13)15-12(14-10)18-8-7-17-5-3-16(2)4-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyYYRWRHSZCCDWPQ-UHFFFAOYSA-N
XLogP0.71
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine (CID 82892090) is 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine is Cc1cc(N)nc(SCCN2CCN(C)CC2)n1.
What is the InChIKey of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is YYRWRHSZCCDWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-10-9-11(13)15-12(14-10)18-8-7-17-5-3-16(2)4-6-17/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 267.40 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 82892090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).