N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide

C16H17FN4O2S — CID 142592638

IUPACN-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O2S/c1-24-16-18-10-13(14(20-16)21-6-8-23-9-7-21)15(22)19-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyHFLBKYAADQRKAN-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.43
Rot. Bonds4

About N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide

N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 142592638) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID142592638
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC NameN-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1
InChIInChI=1S/C16H17FN4O2S/c1-24-16-18-10-13(14(20-16)21-6-8-23-9-7-21)15(22)19-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyHFLBKYAADQRKAN-UHFFFAOYSA-N
XLogP2.43
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
Pyrido[2,3-d]pyrimidin-7-one 2
CID 5330331
Pyrido[2,3-d]pyrimidin-7-one 7
CID 5330335
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
2-(methylthio)-N-phenyl-5-pyrimidinecarboxamide
CID 2231248
8-(2-methoxyethyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330239
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 54
CID 5330240
4-(Benzylamino)-2-(4-morpholinophenylamino)pyrimidine-5-carboxamide
CID 9801356
4-[5-(3-Fluoro-5-morpholinobenzamido)-2-methylanilino]2-methylthiopyrimidine
CID 9803969
4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10071935
4-[(2-Aminobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 23071571

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide (CID 142592638) is N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide is CSc1ncc(C(=O)Nc2ccc(F)cc2)c(N2CCOCC2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HFLBKYAADQRKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/c1-24-16-18-10-13(14(20-16)21-6-8-23-9-7-21)15(22)19-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide?
N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 142592638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).