N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

C19H18FN3O2S — CID 78844785

IUPACN-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-16(18(26-3)22-17(21-12)15-8-5-9-25-15)19(24)23(2)11-13-6-4-7-14(20)10-13/h4-10H,11H2,1-3H3
InChIKeyMRAKPLHMXQLPJF-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.18
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide

N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 78844785) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
PubChem CID78844785
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)Cc1cccc(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-12-16(18(26-3)22-17(21-12)15-8-5-9-25-15)19(24)23(2)11-13-6-4-7-14(20)10-13/h4-10H,11H2,1-3H3
InChIKeyMRAKPLHMXQLPJF-UHFFFAOYSA-N
XLogP4.18
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 78844936
[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 46542954
N-[(3-fluorophenyl)methyl]-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 8663311
N-[[3-(butanoylamino)phenyl]methyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 78886042
(5-fluoro-2-nitrophenyl) 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 55536910
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 46531059
(2-fluorophenyl)methyl 2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylate
CID 30756870
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidin-5-yl]methanone
CID 55550722
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
(2S)-2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8528703
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
N-[(3-fluorophenyl)methyl]-3,5-dihydroxy-N-methylbenzamide
CID 103891567

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide (CID 78844785) is N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is CSc1nc(-c2ccco2)nc(C)c1C(=O)N(C)Cc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is MRAKPLHMXQLPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-16(18(26-3)22-17(21-12)15-8-5-9-25-15)19(24)23(2)11-13-6-4-7-14(20)10-13/h4-10H,11H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide?
N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(furan-2-yl)-N,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 78844785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).