N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

C18H20FN3O2 — CID 50951474

IUPACN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOC2)nc(C)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-16(22-13(2)21-12)17(23)20-10-18(7-8-24-11-18)14-3-5-15(19)6-4-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyXTFGOGQMASZWFA-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.32
Rot. Bonds4

About N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide

N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (PubChem CID 50951474) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
PubChem CID50951474
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOC2)nc(C)n1
InChIInChI=1S/C18H20FN3O2/c1-12-9-16(22-13(2)21-12)17(23)20-10-18(7-8-24-11-18)14-3-5-15(19)6-4-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,23)
InChIKeyXTFGOGQMASZWFA-UHFFFAOYSA-N
XLogP2.32
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide (CID 50951474) is N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOC2)nc(C)n1.
What is the InChIKey of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
The InChIKey is XTFGOGQMASZWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-12-9-16(22-13(2)21-12)17(23)20-10-18(7-8-24-11-18)14-3-5-15(19)6-4-14/h3-6,9H,7-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide?
N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)oxolan-3-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 50951474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).