N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide

C18H15FN4O2S — CID 91453117

IUPACN-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(F)cc2)c(Nc2cccc(O)c2)n1
InChIInChI=1S/C18H15FN4O2S/c1-26-18-20-10-15(17(25)22-12-7-5-11(19)6-8-12)16(23-18)21-13-3-2-4-14(24)9-13/h2-10,24H,1H3,(H,22,25)(H,20,21,23)
InChIKeyBZVVRPZQDSMRSX-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.04
Rot. Bonds5

About N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide (PubChem CID 91453117) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
PubChem CID91453117
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(F)cc2)c(Nc2cccc(O)c2)n1
InChIInChI=1S/C18H15FN4O2S/c1-26-18-20-10-15(17(25)22-12-7-5-11(19)6-8-12)16(23-18)21-13-3-2-4-14(24)9-13/h2-10,24H,1H3,(H,22,25)(H,20,21,23)
InChIKeyBZVVRPZQDSMRSX-UHFFFAOYSA-N
XLogP4.04
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(5-acetyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90373764
4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
N-(3-fluorophenyl)-2-methylsulfanyl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 20913719
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]-2-methylsulfanylpyrimidine-5-carboxylic acid
CID 59174609
ethane;ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 144591369
ethyl 4-(3-ethoxycarbonyloxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 9150252
ethyl 2-methylsulfanyl-4-(3-propanoyloxyanilino)pyrimidine-5-carboxylate
CID 9150222
ethyl 4-[(4-fluorophenyl)carbamoylamino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 20913925
3-(4-fluorophenyl)-N-(3-hydroxyphenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 78797233
ethyl 2,4-bis(3-hydroxyanilino)pyrimidine-5-carboxylate
CID 22060485
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
N-(2-hydroxyethyl)-4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 505746

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide (CID 91453117) is N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccc(F)cc2)c(Nc2cccc(O)c2)n1.
What is the InChIKey of N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide?
The InChIKey is BZVVRPZQDSMRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c1-26-18-20-10-15(17(25)22-12-7-5-11(19)6-8-12)16(23-18)21-13-3-2-4-14(24)9-13/h2-10,24H,1H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide is sourced from PubChem (CID 91453117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).