7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane

C10H11Cl2N3O — CID 172608340

IUPAC7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESClc1ncc(Cl)c(N2CCOC3(CC3)C2)n1
InChIInChI=1S/C10H11Cl2N3O/c11-7-5-13-9(12)14-8(7)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2
InChIKeyPVMAMGZXFPCKNF-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.15
Rot. Bonds1

About 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane

7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane (PubChem CID 172608340) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
PubChem CID172608340
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESClc1ncc(Cl)c(N2CCOC3(CC3)C2)n1
InChIInChI=1S/C10H11Cl2N3O/c11-7-5-13-9(12)14-8(7)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2
InChIKeyPVMAMGZXFPCKNF-UHFFFAOYSA-N
XLogP2.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79632898
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479114
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane
CID 172608426
4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79075234
1-(2,5-dichloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79633042
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
3-(2,5-dichloropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 79631998
4-(4-oxa-7-azaspiro[2.5]octan-7-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178105507
2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 79632513
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
4-(5-chloro-2-pyridinyl)-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 138382286

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane (CID 172608340) is 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane is Clc1ncc(Cl)c(N2CCOC3(CC3)C2)n1.
What is the InChIKey of 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is PVMAMGZXFPCKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c11-7-5-13-9(12)14-8(7)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2.
What are the key properties of 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 260.12 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 172608340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).