7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

C13H19N3O2 — CID 131025765

IUPAC7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC(C)c1cc(N2CCC3(C2)OCCO3)ncn1
InChIInChI=1S/C13H19N3O2/c1-10(2)11-7-12(15-9-14-11)16-4-3-13(8-16)17-5-6-18-13/h7,9-10H,3-6,8H2,1-2H3
InChIKeyZTBSGIBZTGKNCK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.55
Rot. Bonds2

About 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane

7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 131025765) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID131025765
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCC(C)c1cc(N2CCC3(C2)OCCO3)ncn1
InChIInChI=1S/C13H19N3O2/c1-10(2)11-7-12(15-9-14-11)16-4-3-13(8-16)17-5-6-18-13/h7,9-10H,3-6,8H2,1-2H3
InChIKeyZTBSGIBZTGKNCK-UHFFFAOYSA-N
XLogP1.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725176
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5-methylpyridin-4-amine
CID 131057084
2-methyl-7-(6-propan-2-ylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
CID 72930014
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112855305
4-(azetidin-1-yl)-6-propan-2-ylpyrimidine;N,N-dimethyl-6-propan-2-ylpyrimidin-4-amine
CID 144865603
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340435
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
4-(3-chloro-4-methylpiperidin-1-yl)-6-propan-2-ylpyrimidine
CID 102960858
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
CID 112862664
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
[4-(6-propan-2-ylpyrimidin-4-yl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 72932942

Frequently Asked Questions

What is the IUPAC name of 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane (CID 131025765) is 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is CC(C)c1cc(N2CCC3(C2)OCCO3)ncn1.
What is the InChIKey of 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is ZTBSGIBZTGKNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(2)11-7-12(15-9-14-11)16-4-3-13(8-16)17-5-6-18-13/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane?
7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 249.31 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-propan-2-ylpyrimidin-4-yl)-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 131025765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).