(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate

C15H20ClN3O4 — CID 155754464

IUPAC(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate
SMILESO=C(OCn1cnc(Cl)cc1=O)N1CCC(O)C2(CCCC2)C1
InChIInChI=1S/C15H20ClN3O4/c16-12-7-13(21)19(9-17-12)10-23-14(22)18-6-3-11(20)15(8-18)4-1-2-5-15/h7,9,11,20H,1-6,8,10H2
InChIKeyGRFJINGRFILJFX-UHFFFAOYSA-N
MW341.80 g/mol
LogP1.62
Rot. Bonds2

About (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate

(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate (PubChem CID 155754464) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Name(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate
PubChem CID155754464
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Name(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate
SMILESO=C(OCn1cnc(Cl)cc1=O)N1CCC(O)C2(CCCC2)C1
InChIInChI=1S/C15H20ClN3O4/c16-12-7-13(21)19(9-17-12)10-23-14(22)18-6-3-11(20)15(8-18)4-1-2-5-15/h7,9,11,20H,1-6,8,10H2
InChIKeyGRFJINGRFILJFX-UHFFFAOYSA-N
XLogP1.62
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate?
The IUPAC name of (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate (CID 155754464) is (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate is O=C(OCn1cnc(Cl)cc1=O)N1CCC(O)C2(CCCC2)C1.
What is the InChIKey of (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate?
The InChIKey is GRFJINGRFILJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c16-12-7-13(21)19(9-17-12)10-23-14(22)18-6-3-11(20)15(8-18)4-1-2-5-15/h7,9,11,20H,1-6,8,10H2.
What are the key properties of (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate?
(4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate has a molecular weight of 341.80 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-oxopyrimidin-1-yl)methyl 10-hydroxy-7-azaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 155754464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).