5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one

C12H18ClN3O2 — CID 114623706

IUPAC5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one
SMILESCC1(C)CC(n2cnc(Cl)c(N)c2=O)C(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-11(2)5-7(12(3,4)18-11)16-6-15-9(13)8(14)10(16)17/h6-7H,5,14H2,1-4H3
InChIKeyQFRJHMIRIRBMKB-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.00
Rot. Bonds1

About 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one

5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one (PubChem CID 114623706) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one
PubChem CID114623706
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one
SMILESCC1(C)CC(n2cnc(Cl)c(N)c2=O)C(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-11(2)5-7(12(3,4)18-11)16-6-15-9(13)8(14)10(16)17/h6-7H,5,14H2,1-4H3
InChIKeyQFRJHMIRIRBMKB-UHFFFAOYSA-N
XLogP2.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.00
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-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one (CID 114623706) is 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one is CC1(C)CC(n2cnc(Cl)c(N)c2=O)C(C)(C)O1.
What is the InChIKey of 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one?
The InChIKey is QFRJHMIRIRBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-11(2)5-7(12(3,4)18-11)16-6-15-9(13)8(14)10(16)17/h6-7H,5,14H2,1-4H3.
What are the key properties of 5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one has a molecular weight of 271.75 g/mol, XLogP of 2.00, 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-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).