5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one

C11H16ClN3O2 — CID 114582461

IUPAC5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc(Cl)c(N)c2=O)O1
InChIInChI=1S/C11H16ClN3O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(12)8(13)10(15)16/h6-7H,3-5,13H2,1-2H3
InChIKeyCPPLAZHKDVZHJT-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.44
Rot. Bonds2

About 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one

5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 114582461) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID114582461
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc(Cl)c(N)c2=O)O1
InChIInChI=1S/C11H16ClN3O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(12)8(13)10(15)16/h6-7H,3-5,13H2,1-2H3
InChIKeyCPPLAZHKDVZHJT-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidin-4-one
CID 102899752
5-Amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136901
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]-5-methoxypyrimidin-4-one
CID 113604638
5-Amino-6-chloro-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)pyrimidin-4-one
CID 113750717
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 114582022
5-Amino-6-chloro-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 114582535
5,6-Dichloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one
CID 114582890
6-Chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]-5-iodopyrimidin-4-one
CID 114583744
5-Amino-6-chloro-3-(2,2,5,5-tetramethyloxolan-3-yl)pyrimidin-4-one
CID 114623706

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one (CID 114582461) is 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one is CC1(C)CCC(Cn2cnc(Cl)c(N)c2=O)O1.
What is the InChIKey of 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is CPPLAZHKDVZHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-11(2)4-3-7(17-11)5-15-6-14-9(12)8(13)10(15)16/h6-7H,3-5,13H2,1-2H3.
What are the key properties of 5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 257.72 g/mol, XLogP of 1.44, 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-[(5,5-dimethyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 114582461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).