N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine

C14H21N3O2S — CID 106972456

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C14H21N3O2S/c1-17(12-9-13(20-2)16-10-15-12)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8H2,1-2H3
InChIKeyGPSJTUQYHQFVAW-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.32
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine (PubChem CID 106972456) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
PubChem CID106972456
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C14H21N3O2S/c1-17(12-9-13(20-2)16-10-15-12)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8H2,1-2H3
InChIKeyGPSJTUQYHQFVAW-UHFFFAOYSA-N
XLogP2.32
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine (CID 106972456) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is GPSJTUQYHQFVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-17(12-9-13(20-2)16-10-15-12)11-3-5-14(6-4-11)18-7-8-19-14/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 295.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methyl-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 106972456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).