1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine

C12H17Cl2N3 — CID 112569480

IUPAC1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C12H17Cl2N3/c1-17(2)7-9-15-11(13)10(12(14)16-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyILUTXIHGFHRNLK-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.50
Rot. Bonds3

About 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine

1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine (PubChem CID 112569480) has the molecular formula C12H17Cl2N3 and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine
PubChem CID112569480
Molecular FormulaC12H17Cl2N3
Molecular Weight274.19 g/mol
Exact Mass273.08
IUPAC Name1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C12H17Cl2N3/c1-17(2)7-9-15-11(13)10(12(14)16-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3
InChIKeyILUTXIHGFHRNLK-UHFFFAOYSA-N
XLogP3.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine (CID 112569480) is 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine?
The InChIKey is ILUTXIHGFHRNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N3/c1-17(2)7-9-15-11(13)10(12(14)16-9)8-5-3-4-6-8/h8H,3-7H2,1-2H3.
What are the key properties of 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine?
1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine has a molecular weight of 274.19 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-5-cyclopentylpyrimidin-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 112569480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).