1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine

C10H14FN3 — CID 166838295

IUPAC1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESC=C(C)C(F)c1nccc(CNC)n1
InChIInChI=1S/C10H14FN3/c1-7(2)9(11)10-13-5-4-8(14-10)6-12-3/h4-5,9,12H,1,6H2,2-3H3
InChIKeyKSOCSLIBDBZKBD-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine

1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine (PubChem CID 166838295) has the molecular formula C10H14FN3 and a molecular weight of 195.24 g/mol. Its IUPAC name is 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine
PubChem CID166838295
Molecular FormulaC10H14FN3
Molecular Weight195.24 g/mol
Exact Mass195.12
IUPAC Name1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine
SMILESC=C(C)C(F)c1nccc(CNC)n1
InChIInChI=1S/C10H14FN3/c1-7(2)9(11)10-13-5-4-8(14-10)6-12-3/h4-5,9,12H,1,6H2,2-3H3
InChIKeyKSOCSLIBDBZKBD-UHFFFAOYSA-N
XLogP1.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine (CID 166838295) is 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine is C=C(C)C(F)c1nccc(CNC)n1.
What is the InChIKey of 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine?
The InChIKey is KSOCSLIBDBZKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3/c1-7(2)9(11)10-13-5-4-8(14-10)6-12-3/h4-5,9,12H,1,6H2,2-3H3.
What are the key properties of 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine?
1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine has a molecular weight of 195.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-fluoro-2-methylprop-2-enyl)pyrimidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 166838295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).