2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine

C14H21FN4 — CID 170950370

IUPAC2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine
SMILESCC/C=C/C1(F)CCN(c2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H21FN4/c1-3-4-5-14(15)6-8-19(9-7-14)13-17-11(2)10-12(16)18-13/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18)/b5-4+
InChIKeyYSHXYZYDSAJNAX-SNAWJCMRSA-N
MW264.35 g/mol
LogP2.64
Rot. Bonds3

About 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine

2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine (PubChem CID 170950370) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine
PubChem CID170950370
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine
SMILESCC/C=C/C1(F)CCN(c2nc(C)cc(N)n2)CC1
InChIInChI=1S/C14H21FN4/c1-3-4-5-14(15)6-8-19(9-7-14)13-17-11(2)10-12(16)18-13/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18)/b5-4+
InChIKeyYSHXYZYDSAJNAX-SNAWJCMRSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine (CID 170950370) is 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine is CC/C=C/C1(F)CCN(c2nc(C)cc(N)n2)CC1.
What is the InChIKey of 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine?
The InChIKey is YSHXYZYDSAJNAX-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21FN4/c1-3-4-5-14(15)6-8-19(9-7-14)13-17-11(2)10-12(16)18-13/h4-5,10H,3,6-9H2,1-2H3,(H2,16,17,18)/b5-4+.
What are the key properties of 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine?
2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine has a molecular weight of 264.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-but-1-enyl]-4-fluoropiperidin-1-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 170950370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).