N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

C18H17FN4O2 — CID 133433194

IUPACN-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCc1ncnc(NCc2ccc(NC(=O)c3ccco3)cc2)c1F
InChIInChI=1S/C18H17FN4O2/c1-2-14-16(19)17(22-11-21-14)20-10-12-5-7-13(8-6-12)23-18(24)15-4-3-9-25-15/h3-9,11H,2,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyXUTXGZQBJOUFNM-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 133433194) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID133433194
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC NameN-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCCc1ncnc(NCc2ccc(NC(=O)c3ccco3)cc2)c1F
InChIInChI=1S/C18H17FN4O2/c1-2-14-16(19)17(22-11-21-14)20-10-12-5-7-13(8-6-12)23-18(24)15-4-3-9-25-15/h3-9,11H,2,10H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyXUTXGZQBJOUFNM-UHFFFAOYSA-N
XLogP3.64
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
N-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
N-[4-(methylamino)phenyl]furan-2-carboxamide
CID 63091259
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-(furan-2-ylmethyl)propanamide
CID 129471364
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
[4-(furan-2-carbonylamino)phenyl]carbamic acid
CID 18543126
N-[4-[[(2,3,4-trifluorophenyl)sulfonylamino]methyl]phenyl]furan-2-carboxamide
CID 31112069
N-[6-[(4-chlorophenyl)methylamino]-3-pyridinyl]furan-2-carboxamide
CID 113012273

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide (CID 133433194) is N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is CCc1ncnc(NCc2ccc(NC(=O)c3ccco3)cc2)c1F.
What is the InChIKey of N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is XUTXGZQBJOUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-14-16(19)17(22-11-21-14)20-10-12-5-7-13(8-6-12)23-18(24)15-4-3-9-25-15/h3-9,11H,2,10H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 133433194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).