5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

C11H16ClN3O2 — CID 114582513

IUPAC5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCC2CCCO2)c1=O
InChIInChI=1S/C11H16ClN3O2/c12-10-9(13)11(16)15(7-14-10)5-1-3-8-4-2-6-17-8/h7-8H,1-6,13H2
InChIKeyZQKZQWKTAVYOTJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.44
Rot. Bonds4

About 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one

5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (PubChem CID 114582513) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
PubChem CID114582513
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCCC2CCCO2)c1=O
InChIInChI=1S/C11H16ClN3O2/c12-10-9(13)11(16)15(7-14-10)5-1-3-8-4-2-6-17-8/h7-8H,1-6,13H2
InChIKeyZQKZQWKTAVYOTJ-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136901
6-Chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
CID 114582075
5-Amino-6-chloro-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 114582535
5-Amino-6-chloro-3-[2-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582733
5-Amino-6-chloro-3-(oxan-2-ylmethyl)pyrimidin-4-one
CID 114582832
5,6-Dichloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
CID 114582941
6-Chloro-5-iodo-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
CID 114583796

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one (CID 114582513) is 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is Nc1c(Cl)ncn(CCCC2CCCO2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
The InChIKey is ZQKZQWKTAVYOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c12-10-9(13)11(16)15(7-14-10)5-1-3-8-4-2-6-17-8/h7-8H,1-6,13H2.
What are the key properties of 5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one?
5-amino-6-chloro-3-[3-(oxolan-2-yl)propyl]pyrimidin-4-one has a molecular weight of 257.72 g/mol, XLogP of 1.44, 4 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-[3-(oxolan-2-yl)propyl]pyrimidin-4-one is sourced from PubChem (CID 114582513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).