3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C19H22ClN5O — CID 66724782

IUPAC3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1cc(-c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C19H22ClN5O/c20-15-3-1-13(2-4-15)16-9-17(23-12-22-16)25-11-19(26-18(25)21)10-24-7-5-14(19)6-8-24/h1-4,9,12,14,18H,5-8,10-11,21H2
InChIKeyHCTAOJSMSXAOIE-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.34
Rot. Bonds2

About 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 66724782) has the molecular formula C19H22ClN5O and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID66724782
Molecular FormulaC19H22ClN5O
Molecular Weight371.87 g/mol
Exact Mass371.15
IUPAC Name3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESNC1OC2(CN3CCC2CC3)CN1c1cc(-c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C19H22ClN5O/c20-15-3-1-13(2-4-15)16-9-17(23-12-22-16)25-11-19(26-18(25)21)10-24-7-5-14(19)6-8-24/h1-4,9,12,14,18H,5-8,10-11,21H2
InChIKeyHCTAOJSMSXAOIE-UHFFFAOYSA-N
XLogP2.34
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724803
3-(6-chloro-1-methylisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724721
3-(5-chloroisoquinolin-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724751
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
(3R)-N-[4-(5-chloro-3-pyridinyl)-2-pyridinyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 59286675
1-[6-(furan-3-yl)pyrimidin-4-yl]pyrrolidin-3-amine
CID 126848521
(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10246214
N-[6-(3-chlorophenyl)pyrimidin-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,6'-1-oxa-3-azacyclohex-2-en-4-yne]-2'-amine
CID 123456426
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
CID 83850617
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059
4-(6-chloropyrimidin-4-yl)-1,4-diazabicyclo[3.2.1]octane
CID 131029065

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 66724782) is 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is NC1OC2(CN3CCC2CC3)CN1c1cc(-c2ccc(Cl)cc2)ncn1.
What is the InChIKey of 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is HCTAOJSMSXAOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O/c20-15-3-1-13(2-4-15)16-9-17(23-12-22-16)25-11-19(26-18(25)21)10-24-7-5-14(19)6-8-24/h1-4,9,12,14,18H,5-8,10-11,21H2.
What are the key properties of 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 371.87 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-chlorophenyl)pyrimidin-4-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 66724782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).