6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

C18H23FN4 — CID 56768131

IUPAC6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCNCC2)nc(-c2ccccc2F)n1
InChIInChI=1S/C18H23FN4/c1-2-14-11-17(21-12-13-7-9-20-10-8-13)23-18(22-14)15-5-3-4-6-16(15)19/h3-6,11,13,20H,2,7-10,12H2,1H3,(H,21,22,23)
InChIKeyYVLQIUDKFSAZTO-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.26
Rot. Bonds5

About 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine

6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (PubChem CID 56768131) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
PubChem CID56768131
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine
SMILESCCc1cc(NCC2CCNCC2)nc(-c2ccccc2F)n1
InChIInChI=1S/C18H23FN4/c1-2-14-11-17(21-12-13-7-9-20-10-8-13)23-18(22-14)15-5-3-4-6-16(15)19/h3-6,11,13,20H,2,7-10,12H2,1H3,(H,21,22,23)
InChIKeyYVLQIUDKFSAZTO-UHFFFAOYSA-N
XLogP3.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine (CID 56768131) is 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is CCc1cc(NCC2CCNCC2)nc(-c2ccccc2F)n1.
What is the InChIKey of 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
The InChIKey is YVLQIUDKFSAZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-2-14-11-17(21-12-13-7-9-20-10-8-13)23-18(22-14)15-5-3-4-6-16(15)19/h3-6,11,13,20H,2,7-10,12H2,1H3,(H,21,22,23).
What are the key properties of 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine?
6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine has a molecular weight of 314.41 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-fluorophenyl)-N-(piperidin-4-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 56768131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).