N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine

C14H21N3O2 — CID 75446395

IUPACN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
SMILESCC1CCC2(CC1)OCC(CNc1ncccn1)O2
InChIInChI=1S/C14H21N3O2/c1-11-3-5-14(6-4-11)18-10-12(19-14)9-17-13-15-7-2-8-16-13/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,15,16,17)
InChIKeyWDROMOYYVAPIAM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds3

About N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine

N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine (PubChem CID 75446395) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
PubChem CID75446395
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine
SMILESCC1CCC2(CC1)OCC(CNc1ncccn1)O2
InChIInChI=1S/C14H21N3O2/c1-11-3-5-14(6-4-11)18-10-12(19-14)9-17-13-15-7-2-8-16-13/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,15,16,17)
InChIKeyWDROMOYYVAPIAM-UHFFFAOYSA-N
XLogP2.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine (CID 75446395) is N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine is CC1CCC2(CC1)OCC(CNc1ncccn1)O2.
What is the InChIKey of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is WDROMOYYVAPIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-3-5-14(6-4-11)18-10-12(19-14)9-17-13-15-7-2-8-16-13/h2,7-8,11-12H,3-6,9-10H2,1H3,(H,15,16,17).
What are the key properties of N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine?
N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 75446395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).