5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one

C14H20ClN3O2 — CID 102899752

IUPAC5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCC3(CCCCC3)O2)c1=O
InChIInChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)8-10-4-7-14(20-10)5-2-1-3-6-14/h9-10H,1-8,16H2
InChIKeyKWVUJIIUKAWOOT-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.36
Rot. Bonds2

About 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one (PubChem CID 102899752) 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[4.5]decan-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
PubChem CID102899752
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CCC3(CCCCC3)O2)c1=O
InChIInChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)8-10-4-7-14(20-10)5-2-1-3-6-14/h9-10H,1-8,16H2
InChIKeyKWVUJIIUKAWOOT-UHFFFAOYSA-N
XLogP2.36
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-Dichloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899753
5-Bromo-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899754
6-Chloro-5-iodo-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899756
6-Chloro-5-methoxy-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899762
5-Amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136901
6-Chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 113750716
5-Amino-6-chloro-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 113750717
5-Amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 114582461
5-Amino-6-chloro-3-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582567
5-Amino-6-chloro-3-(6-oxaspiro[4.5]decan-9-yl)pyrimidin-4-one
CID 114582817

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one (CID 102899752) is 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2CCC3(CCCCC3)O2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one?
The InChIKey is KWVUJIIUKAWOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-12-11(16)13(19)18(9-17-12)8-10-4-7-14(20-10)5-2-1-3-6-14/h9-10H,1-8,16H2.
What are the key properties of 5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one has a molecular weight of 297.79 g/mol, XLogP of 2.36, 2 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[4.5]decan-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 102899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).