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

C15H23N3O2 — CID 79119446

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C15H23N3O2/c1-3-12-10-14(17-11-16-12)18(2)13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13H,3-9H2,1-2H3
InChIKeyHORSLJGPNPNAJP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.16
Rot. Bonds3

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

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 79119446) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID79119446
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C15H23N3O2/c1-3-12-10-14(17-11-16-12)18(2)13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13H,3-9H2,1-2H3
InChIKeyHORSLJGPNPNAJP-UHFFFAOYSA-N
XLogP2.16
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine (CID 79119446) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine is CCc1cc(N(C)C2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is HORSLJGPNPNAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12-10-14(17-11-16-12)18(2)13-4-6-15(7-5-13)19-8-9-20-15/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 277.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79119446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).