1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine

C13H22FN3 — CID 123569120

IUPAC1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESCc1nc(C(C)NCCF)nc(C)c1C(C)C
InChIInChI=1S/C13H22FN3/c1-8(2)12-9(3)16-13(17-10(12)4)11(5)15-7-6-14/h8,11,15H,6-7H2,1-5H3
InChIKeyXBUHGSKELMFRSS-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.84
Rot. Bonds5

About 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine

1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine (PubChem CID 123569120) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine.

Molecular Properties

Compound Name1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine
PubChem CID123569120
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine
SMILESCc1nc(C(C)NCCF)nc(C)c1C(C)C
InChIInChI=1S/C13H22FN3/c1-8(2)12-9(3)16-13(17-10(12)4)11(5)15-7-6-14/h8,11,15H,6-7H2,1-5H3
InChIKeyXBUHGSKELMFRSS-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine?
The IUPAC name of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine (CID 123569120) is 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine.
What is the SMILES notation for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine?
The canonical SMILES for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine is Cc1nc(C(C)NCCF)nc(C)c1C(C)C.
What is the InChIKey of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine?
The InChIKey is XBUHGSKELMFRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-8(2)12-9(3)16-13(17-10(12)4)11(5)15-7-6-14/h8,11,15H,6-7H2,1-5H3.
What are the key properties of 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine?
1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine has a molecular weight of 239.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-5-propan-2-ylpyrimidin-2-yl)-N-(2-fluoroethyl)ethanamine is sourced from PubChem (CID 123569120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).