N-(3-fluoropropyl)-4-methylpyrimidin-2-amine

C8H12FN3 — CID 130504329

IUPACN-(3-fluoropropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCF)n1
InChIInChI=1S/C8H12FN3/c1-7-3-6-11-8(12-7)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,11,12)
InChIKeyVTKOZGKHXAPSTK-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.56
Rot. Bonds4

About N-(3-fluoropropyl)-4-methylpyrimidin-2-amine

N-(3-fluoropropyl)-4-methylpyrimidin-2-amine (PubChem CID 130504329) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-methylpyrimidin-2-amine
PubChem CID130504329
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC NameN-(3-fluoropropyl)-4-methylpyrimidin-2-amine
SMILESCc1ccnc(NCCCF)n1
InChIInChI=1S/C8H12FN3/c1-7-3-6-11-8(12-7)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,11,12)
InChIKeyVTKOZGKHXAPSTK-UHFFFAOYSA-N
XLogP1.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-octylpyrimidin-2-amine
CID 115568939
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-fluorobutyl)-4-methylpyrimidin-2-amine
CID 130637741
4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
4-methyl-N-pent-3-ynylpyrimidin-2-amine
CID 116644591
4-fluoro-N-[3-[(4-methylpyrimidin-2-yl)amino]propyl]benzamide
CID 133309502
N'-butyl-N'-methyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 133309962
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-methylpyrimidin-2-amine?
The IUPAC name of N-(3-fluoropropyl)-4-methylpyrimidin-2-amine (CID 130504329) is N-(3-fluoropropyl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-4-methylpyrimidin-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-4-methylpyrimidin-2-amine is Cc1ccnc(NCCCF)n1.
What is the InChIKey of N-(3-fluoropropyl)-4-methylpyrimidin-2-amine?
The InChIKey is VTKOZGKHXAPSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-7-3-6-11-8(12-7)10-5-2-4-9/h3,6H,2,4-5H2,1H3,(H,10,11,12).
What are the key properties of N-(3-fluoropropyl)-4-methylpyrimidin-2-amine?
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine has a molecular weight of 169.20 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130504329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).