6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine

C13H20ClN3O — CID 114096231

IUPAC6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20ClN3O/c1-5-10-15-11(14)8(2)12(16-10)17-13(4)6-7-18-9(13)3/h9H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJLAWQNFBLKAHFJ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.98
Rot. Bonds3

About 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 114096231) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID114096231
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(NC2(C)CCOC2C)n1
InChIInChI=1S/C13H20ClN3O/c1-5-10-15-11(14)8(2)12(16-10)17-13(4)6-7-18-9(13)3/h9H,5-7H2,1-4H3,(H,15,16,17)
InChIKeyJLAWQNFBLKAHFJ-UHFFFAOYSA-N
XLogP2.98
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine (CID 114096231) is 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(NC2(C)CCOC2C)n1.
What is the InChIKey of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is JLAWQNFBLKAHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-5-10-15-11(14)8(2)12(16-10)17-13(4)6-7-18-9(13)3/h9H,5-7H2,1-4H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 269.78 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3-dimethyloxolan-3-yl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114096231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).