2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine

C9H14FN3 — CID 112566871

IUPAC2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cncnc1
InChIInChI=1S/C9H14FN3/c1-7(2)9(10,5-11)8-3-12-6-13-4-8/h3-4,6-7H,5,11H2,1-2H3
InChIKeyHNEMMYXFUPUFIX-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.26
Rot. Bonds3

About 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine

2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine (PubChem CID 112566871) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine
PubChem CID112566871
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine
SMILESCC(C)C(F)(CN)c1cncnc1
InChIInChI=1S/C9H14FN3/c1-7(2)9(10,5-11)8-3-12-6-13-4-8/h3-4,6-7H,5,11H2,1-2H3
InChIKeyHNEMMYXFUPUFIX-UHFFFAOYSA-N
XLogP1.26
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Heptafluoropropyl)pyrimidine
CID 119085065
2-Chloro-5-propylpyrimidine
CID 2735784
2-Chloro-5-pentylpyrimidine
CID 16756526
5-Cyclohexylpyrimidin-2-amine
CID 13163993
3-(Pyrimidin-5-yl)propan-1-amine
CID 15703007
5-(Propan-2-yl)pyrimidin-2-amine
CID 20823899
2-Chloro-5-decylpyrimidine
CID 22099083
5-Ethylpyrimidin-2-amine
CID 23131355
5-(Piperidin-4-yl)pyrimidine
CID 24904194
2-(Pyrimidin-5-yl)ethan-1-amine
CID 27281450
5-Butyl-2-pyrimidinamine
CID 45071698
5-Cyclopropylpyrimidin-2-amine
CID 45080433

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine (CID 112566871) is 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine is CC(C)C(F)(CN)c1cncnc1.
What is the InChIKey of 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine?
The InChIKey is HNEMMYXFUPUFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(2)9(10,5-11)8-3-12-6-13-4-8/h3-4,6-7H,5,11H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine?
2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine has a molecular weight of 183.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-pyrimidin-5-ylbutan-1-amine is sourced from PubChem (CID 112566871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).