5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one

C8H10ClN3O2 — CID 114582509

IUPAC5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCOC2)c1=O
InChIInChI=1S/C8H10ClN3O2/c9-7-6(10)8(13)12(4-11-7)5-1-2-14-3-5/h4-5H,1-3,10H2
InChIKeyFXFCRHSUDDIIRH-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.44
Rot. Bonds1

About 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one

5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one (PubChem CID 114582509) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
PubChem CID114582509
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Name5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C2CCOC2)c1=O
InChIInChI=1S/C8H10ClN3O2/c9-7-6(10)8(13)12(4-11-7)5-1-2-14-3-5/h4-5H,1-3,10H2
InChIKeyFXFCRHSUDDIIRH-UHFFFAOYSA-N
XLogP0.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-one
CID 114582847
5-Amino-6-chloro-3-[2-(3-methoxypropoxy)ethyl]pyrimidin-4-one
CID 103182131
5-Amino-6-chloro-3-[2-(2-methylpropoxy)ethyl]pyrimidin-4-one
CID 106455820
5-Amino-6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455821
5-Amino-6-chloro-3-(oxan-3-yl)pyrimidin-4-one
CID 107137207
6-Chloro-3-(oxolan-3-yl)pyrimidin-4-one
CID 114582070
5-Amino-3-(2-butoxyethyl)-6-chloropyrimidin-4-one
CID 114582486
5-Amino-6-chloro-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
CID 114582529
5-Amino-6-chloro-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 114582535
5-Amino-6-chloro-3-[2-(2-methoxyethoxy)ethyl]pyrimidin-4-one
CID 114582561
5-Amino-6-chloro-3-(1-methoxypropan-2-yl)pyrimidin-4-one
CID 114582562
5-Amino-6-chloro-3-(3-methoxypropyl)pyrimidin-4-one
CID 114582591

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one (CID 114582509) is 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one is Nc1c(Cl)ncn(C2CCOC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one?
The InChIKey is FXFCRHSUDDIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c9-7-6(10)8(13)12(4-11-7)5-1-2-14-3-5/h4-5H,1-3,10H2.
What are the key properties of 5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one?
5-amino-6-chloro-3-(oxolan-3-yl)pyrimidin-4-one has a molecular weight of 215.64 g/mol, XLogP of 0.44, 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-(oxolan-3-yl)pyrimidin-4-one is sourced from PubChem (CID 114582509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).