4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine

C12H18FN3 — CID 126593499

IUPAC4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine
SMILESC=C(F)C(C)CCCc1ncnc(C)c1N
InChIInChI=1S/C12H18FN3/c1-8(9(2)13)5-4-6-11-12(14)10(3)15-7-16-11/h7-8H,2,4-6,14H2,1,3H3
InChIKeyLCQDOIOAHIHTTK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.81
Rot. Bonds5

About 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine

4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine (PubChem CID 126593499) has the molecular formula C12H18FN3 and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine
PubChem CID126593499
Molecular FormulaC12H18FN3
Molecular Weight223.29 g/mol
Exact Mass223.15
IUPAC Name4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine
SMILESC=C(F)C(C)CCCc1ncnc(C)c1N
InChIInChI=1S/C12H18FN3/c1-8(9(2)13)5-4-6-11-12(14)10(3)15-7-16-11/h7-8H,2,4-6,14H2,1,3H3
InChIKeyLCQDOIOAHIHTTK-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine?
The IUPAC name of 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine (CID 126593499) is 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine.
What is the SMILES notation for 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine?
The canonical SMILES for 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine is C=C(F)C(C)CCCc1ncnc(C)c1N.
What is the InChIKey of 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine?
The InChIKey is LCQDOIOAHIHTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3/c1-8(9(2)13)5-4-6-11-12(14)10(3)15-7-16-11/h7-8H,2,4-6,14H2,1,3H3.
What are the key properties of 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine?
4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine has a molecular weight of 223.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-4-methylhex-5-enyl)-6-methylpyrimidin-5-amine is sourced from PubChem (CID 126593499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).