2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

C18H21FN4O2 — CID 109252355

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)7-8-20-18-22-10-14(11-23-18)17(24)21-12-16-2-1-9-25-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,21,24)(H,20,22,23)
InChIKeyXXGKNNDRVUPZCG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.18
Rot. Bonds7

About 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide

2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109252355) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109252355
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cnc(NCCc2ccc(F)cc2)nc1
InChIInChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)7-8-20-18-22-10-14(11-23-18)17(24)21-12-16-2-1-9-25-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,21,24)(H,20,22,23)
InChIKeyXXGKNNDRVUPZCG-UHFFFAOYSA-N
XLogP2.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252395
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(2,4-difluoroanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252478
2-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109252554
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92637019
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109252355) is 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is O=C(NCC1CCCO1)c1cnc(NCCc2ccc(F)cc2)nc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is XXGKNNDRVUPZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c19-15-5-3-13(4-6-15)7-8-20-18-22-10-14(11-23-18)17(24)21-12-16-2-1-9-25-16/h3-6,10-11,16H,1-2,7-9,12H2,(H,21,24)(H,20,22,23).
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide?
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).