6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H25N5S — CID 80796740

IUPAC6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C(C)(C)C)CC2)nc(SC)n1
InChIInChI=1S/C14H25N5S/c1-14(2,3)19-8-6-18(7-9-19)12-10-11(15-4)16-13(17-12)20-5/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyROCKTGPHUMZBKO-UHFFFAOYSA-N
MW295.46 g/mol
LogP2.16
Rot. Bonds3

About 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80796740) has the molecular formula C14H25N5S and a molecular weight of 295.46 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID80796740
Molecular FormulaC14H25N5S
Molecular Weight295.46 g/mol
Exact Mass295.18
IUPAC Name6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(N2CCN(C(C)(C)C)CC2)nc(SC)n1
InChIInChI=1S/C14H25N5S/c1-14(2,3)19-8-6-18(7-9-19)12-10-11(15-4)16-13(17-12)20-5/h10H,6-9H2,1-5H3,(H,15,16,17)
InChIKeyROCKTGPHUMZBKO-UHFFFAOYSA-N
XLogP2.16
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 80796740) is 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(N2CCN(C(C)(C)C)CC2)nc(SC)n1.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is ROCKTGPHUMZBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5S/c1-14(2,3)19-8-6-18(7-9-19)12-10-11(15-4)16-13(17-12)20-5/h10H,6-9H2,1-5H3,(H,15,16,17).
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 295.46 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80796740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).