6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine

C14H26N4OS — CID 115505931

IUPAC6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OCCN(C(C)C)C(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-10(2)18(11(3)4)7-8-19-13-9-12(15-5)16-14(17-13)20-6/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyIDPZSMRMDMJBCR-UHFFFAOYSA-N
MW298.46 g/mol
LogP2.74
Rot. Bonds8

About 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine

6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 115505931) has the molecular formula C14H26N4OS and a molecular weight of 298.46 g/mol. Its IUPAC name is 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID115505931
Molecular FormulaC14H26N4OS
Molecular Weight298.46 g/mol
Exact Mass298.18
IUPAC Name6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1cc(OCCN(C(C)C)C(C)C)nc(SC)n1
InChIInChI=1S/C14H26N4OS/c1-10(2)18(11(3)4)7-8-19-13-9-12(15-5)16-14(17-13)20-6/h9-11H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyIDPZSMRMDMJBCR-UHFFFAOYSA-N
XLogP2.74
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 115505931) is 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1cc(OCCN(C(C)C)C(C)C)nc(SC)n1.
What is the InChIKey of 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is IDPZSMRMDMJBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4OS/c1-10(2)18(11(3)4)7-8-19-13-9-12(15-5)16-14(17-13)20-6/h9-11H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine?
6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 298.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[di(propan-2-yl)amino]ethoxy]-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 115505931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).