N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

C18H17FN4O2 — CID 109255062

IUPACN-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C18H17FN4O2/c19-16-6-2-1-4-13(16)7-8-20-17(24)14-10-21-18(22-11-14)23-12-15-5-3-9-25-15/h1-6,9-11H,7-8,12H2,(H,20,24)(H,21,22,23)
InChIKeyYEIREJLTMRQLQN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (PubChem CID 109255062) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
PubChem CID109255062
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccccc1F)c1cnc(NCc2ccco2)nc1
InChIInChI=1S/C18H17FN4O2/c19-16-6-2-1-4-13(16)7-8-20-17(24)14-10-21-18(22-11-14)23-12-15-5-3-9-25-15/h1-6,9-11H,7-8,12H2,(H,20,24)(H,21,22,23)
InChIKeyYEIREJLTMRQLQN-UHFFFAOYSA-N
XLogP2.79
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
2-(furan-2-ylmethylamino)-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109255066
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109231307
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
2-[2-(2-fluorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246508
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
N-[2-(cyclohexen-1-yl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109251021
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-5-carboxamide
CID 109246495
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide (CID 109255062) is N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is O=C(NCCc1ccccc1F)c1cnc(NCc2ccco2)nc1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
The InChIKey is YEIREJLTMRQLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-16-6-2-1-4-13(16)7-8-20-17(24)14-10-21-18(22-11-14)23-12-15-5-3-9-25-15/h1-6,9-11H,7-8,12H2,(H,20,24)(H,21,22,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109255062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).