(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

C19H23FN4O — CID 56865704

IUPAC(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1nc(N)ncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O/c1-13-17(11-22-19(21)23-13)18(25)24-10-2-3-15(12-24)5-4-14-6-8-16(20)9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H2,21,22,23)
InChIKeyNOHUFKISVMXAEH-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.99
Rot. Bonds4

About (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 56865704) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID56865704
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESCc1nc(N)ncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H23FN4O/c1-13-17(11-22-19(21)23-13)18(25)24-10-2-3-15(12-24)5-4-14-6-8-16(20)9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H2,21,22,23)
InChIKeyNOHUFKISVMXAEH-UHFFFAOYSA-N
XLogP2.99
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 56865704) is (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is Cc1nc(N)ncc1C(=O)N1CCCC(CCc2ccc(F)cc2)C1.
What is the InChIKey of (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is NOHUFKISVMXAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-13-17(11-22-19(21)23-13)18(25)24-10-2-3-15(12-24)5-4-14-6-8-16(20)9-7-14/h6-9,11,15H,2-5,10,12H2,1H3,(H2,21,22,23).
What are the key properties of (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
(2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methylpyrimidin-5-yl)-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56865704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).