5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

C14H20ClN3O2 — CID 114582567

IUPAC5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCOC3(CCCCC3)C2)c1=O
InChIInChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)10-4-7-20-14(8-10)5-2-1-3-6-14/h9-10H,1-8,16H2
InChIKeySNGLWQOINXQIQW-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.53
Rot. Bonds1

About 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one

5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (PubChem CID 114582567) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
PubChem CID114582567
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCOC3(CCCCC3)C2)c1=O
InChIInChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)10-4-7-20-14(8-10)5-2-1-3-6-14/h9-10H,1-8,16H2
InChIKeySNGLWQOINXQIQW-UHFFFAOYSA-N
XLogP2.53
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one (CID 114582567) is 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is Nc1c(Cl)ncn(C2CCOC3(CCCCC3)C2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
The InChIKey is SNGLWQOINXQIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)10-4-7-20-14(8-10)5-2-1-3-6-14/h9-10H,1-8,16H2.
What are the key properties of 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one has a molecular weight of 297.79 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one is sourced from PubChem (CID 114582567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).