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

C10H14ClN3O2 — CID 103136901

IUPAC5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(N)c2=O)O1
InChIInChI=1S/C10H14ClN3O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4,12H2,1H3
InChIKeyDVGBFSGBJYBOKH-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.05
Rot. Bonds2

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

5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103136901) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103136901
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnc(Cl)c(N)c2=O)O1
InChIInChI=1S/C10H14ClN3O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4,12H2,1H3
InChIKeyDVGBFSGBJYBOKH-UHFFFAOYSA-N
XLogP1.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.05
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
6-Chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136899
5,6-Dichloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136903
5-Bromo-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136906
6-Chloro-5-iodo-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136908
6-Chloro-5-methoxy-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
CID 103136917
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-[3-(oxolan-2-yl)propyl]pyrimidin-4-one
CID 114582513
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-(oxolan-2-yl)ethyl]pyrimidin-4-one
CID 114582733

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103136901) is 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnc(Cl)c(N)c2=O)O1.
What is the InChIKey of 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is DVGBFSGBJYBOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c1-6-2-3-7(16-6)4-14-5-13-9(11)8(12)10(14)15/h5-7H,2-4,12H2,1H3.
What are the key properties of 5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
5-amino-6-chloro-3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 243.69 g/mol, XLogP of 1.05, 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-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103136901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).