N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

C18H21F2N3OS — CID 78847786

IUPACN-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C18H21F2N3OS/c1-10(2)16-21-11(3)15(17(22-16)25-5)18(24)23(4)9-12-6-7-13(19)8-14(12)20/h6-8,10H,9H2,1-5H3
InChIKeyCXRHGBSSIRTGRO-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.18
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 78847786) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID78847786
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1ccc(F)cc1F
InChIInChI=1S/C18H21F2N3OS/c1-10(2)16-21-11(3)15(17(22-16)25-5)18(24)23(4)9-12-6-7-13(19)8-14(12)20/h6-8,10H,9H2,1-5H3
InChIKeyCXRHGBSSIRTGRO-UHFFFAOYSA-N
XLogP4.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847903
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid
CID 16777641
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
3-[(2,4-difluorophenyl)methyl-methylamino]-2-methylpropanoic acid
CID 62197976
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[4-[2-[(2,4-difluorophenyl)methyl-methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 47047007

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 78847786) is N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)N(C)Cc1ccc(F)cc1F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is CXRHGBSSIRTGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-10(2)16-21-11(3)15(17(22-16)25-5)18(24)23(4)9-12-6-7-13(19)8-14(12)20/h6-8,10H,9H2,1-5H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 78847786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).