5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine

C12H21N5S — CID 72857715

IUPAC5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCSCCN1CCN(c2nc(N)ncc2C)CC1
InChIInChI=1S/C12H21N5S/c1-10-9-14-12(13)15-11(10)17-5-3-16(4-6-17)7-8-18-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyTYCIMOXAZFIBND-UHFFFAOYSA-N
MW267.40 g/mol
LogP0.85
Rot. Bonds4

About 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine

5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 72857715) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID72857715
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine
SMILESCSCCN1CCN(c2nc(N)ncc2C)CC1
InChIInChI=1S/C12H21N5S/c1-10-9-14-12(13)15-11(10)17-5-3-16(4-6-17)7-8-18-2/h9H,3-8H2,1-2H3,(H2,13,14,15)
InChIKeyTYCIMOXAZFIBND-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine (CID 72857715) is 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine is CSCCN1CCN(c2nc(N)ncc2C)CC1.
What is the InChIKey of 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is TYCIMOXAZFIBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-10-9-14-12(13)15-11(10)17-5-3-16(4-6-17)7-8-18-2/h9H,3-8H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine?
5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 267.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(2-methylsulfanylethyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 72857715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).