8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C21H26N4O3 — CID 112935398

IUPAC8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-4-17(5-3-1)18-16-19(24-10-12-26-13-11-24)23-20(22-18)25-8-6-21(7-9-25)27-14-15-28-21/h1-5,16H,6-15H2
InChIKeyKBQPHQSNWXBBQC-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.32
Rot. Bonds3

About 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 112935398) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID112935398
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESc1ccc(-c2cc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1
InChIInChI=1S/C21H26N4O3/c1-2-4-17(5-3-1)18-16-19(24-10-12-26-13-11-24)23-20(22-18)25-8-6-21(7-9-25)27-14-15-28-21/h1-5,16H,6-15H2
InChIKeyKBQPHQSNWXBBQC-UHFFFAOYSA-N
XLogP2.32
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

8-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112934777
4-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)piperazine-1-carbaldehyde
CID 112935367
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
CID 112932556
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933440
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-4-amine
CID 112933291
1-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidin-4-ol
CID 68870383
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
8-(2-phenylquinolin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90461235
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]aniline
CID 67021827
2-morpholin-4-yl-6-phenylpyrimidine-4-carbonitrile
CID 698584
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenylpyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112936186
8-[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112922838

Frequently Asked Questions

What is the IUPAC name of 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 112935398) is 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is c1ccc(-c2cc(N3CCOCC3)nc(N3CCC4(CC3)OCCO4)n2)cc1.
What is the InChIKey of 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KBQPHQSNWXBBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-4-17(5-3-1)18-16-19(24-10-12-26-13-11-24)23-20(22-18)25-8-6-21(7-9-25)27-14-15-28-21/h1-5,16H,6-15H2.
What are the key properties of 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 382.46 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 112935398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).