1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine

C12H20FN3 — CID 67818284

IUPAC1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)nc(C)c1CCCF
InChIInChI=1S/C12H20FN3/c1-9-11(6-5-7-13)10(2)15-12(14-9)8-16(3)4/h5-8H2,1-4H3
InChIKeyCRARRQVOMAGZSW-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.06
Rot. Bonds5

About 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine

1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 67818284) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine
PubChem CID67818284
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1nc(CN(C)C)nc(C)c1CCCF
InChIInChI=1S/C12H20FN3/c1-9-11(6-5-7-13)10(2)15-12(14-9)8-16(3)4/h5-8H2,1-4H3
InChIKeyCRARRQVOMAGZSW-UHFFFAOYSA-N
XLogP2.06
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine (CID 67818284) is 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine is Cc1nc(CN(C)C)nc(C)c1CCCF.
What is the InChIKey of 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is CRARRQVOMAGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9-11(6-5-7-13)10(2)15-12(14-9)8-16(3)4/h5-8H2,1-4H3.
What are the key properties of 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine?
1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 225.31 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoropropyl)-4,6-dimethylpyrimidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 67818284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).