N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide

C18H22FN5O — CID 89065913

IUPACN-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(N)c(F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H22FN5O/c1-12(25)23(2)18-21-16(13-6-7-15(20)14(19)10-13)11-17(22-18)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9,20H2,1-2H3
InChIKeyQSGVNKHMRFVGIZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.84
Rot. Bonds3

About N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide

N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide (PubChem CID 89065913) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide
PubChem CID89065913
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC NameN-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1nc(-c2ccc(N)c(F)c2)cc(N2CCCCC2)n1
InChIInChI=1S/C18H22FN5O/c1-12(25)23(2)18-21-16(13-6-7-15(20)14(19)10-13)11-17(22-18)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9,20H2,1-2H3
InChIKeyQSGVNKHMRFVGIZ-UHFFFAOYSA-N
XLogP2.84
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide?
The IUPAC name of N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide (CID 89065913) is N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide?
The canonical SMILES for N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide is CC(=O)N(C)c1nc(-c2ccc(N)c(F)c2)cc(N2CCCCC2)n1.
What is the InChIKey of N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide?
The InChIKey is QSGVNKHMRFVGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-12(25)23(2)18-21-16(13-6-7-15(20)14(19)10-13)11-17(22-18)24-8-4-3-5-9-24/h6-7,10-11H,3-5,8-9,20H2,1-2H3.
What are the key properties of N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide?
N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide has a molecular weight of 343.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-fluorophenyl)-6-piperidin-1-ylpyrimidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 89065913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).