N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine

C15H17FN4O2S — CID 95846977

IUPACN-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)cc([C@H]2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-17-13(14-6-7-20(14)23(2,21)22)9-15(18-10)19-12-5-3-4-11(16)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyGRYLUMSHRKMUAG-CQSZACIVSA-N
MW336.39 g/mol
LogP2.37
Rot. Bonds4

About N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine

N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine (PubChem CID 95846977) has the molecular formula C15H17FN4O2S and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine
PubChem CID95846977
Molecular FormulaC15H17FN4O2S
Molecular Weight336.39 g/mol
Exact Mass336.11
IUPAC NameN-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(Nc2cccc(F)c2)cc([C@H]2CCN2S(C)(=O)=O)n1
InChIInChI=1S/C15H17FN4O2S/c1-10-17-13(14-6-7-20(14)23(2,21)22)9-15(18-10)19-12-5-3-4-11(16)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,17,18,19)/t14-/m1/s1
InChIKeyGRYLUMSHRKMUAG-CQSZACIVSA-N
XLogP2.37
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-2-methyl-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271569
2-methyl-6-(1-methylsulfonylazetidin-2-yl)-N-phenylpyrimidin-4-amine
CID 110271312
2-methyl-N-(2-methylphenyl)-6-(1-methylsulfonylazetidin-2-yl)pyrimidin-4-amine
CID 110271544
4-N-cyclopentyl-6-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112868750
2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-6-(1-methylsulfonylpyrrolidin-2-yl)pyrimidin-4-amine
CID 110255470
4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193335
N-[4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112878807
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
5-methyl-N-[2-methyl-6-[(2S)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 125002477
6-N-(3-fluorophenyl)-2-methyl-4-N-(2-methylphenyl)pyrimidine-4,6-diamine
CID 112877001
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
4-N-(3-fluorophenyl)-2-methyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 112877722

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine (CID 95846977) is N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine is Cc1nc(Nc2cccc(F)c2)cc([C@H]2CCN2S(C)(=O)=O)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine?
The InChIKey is GRYLUMSHRKMUAG-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17FN4O2S/c1-10-17-13(14-6-7-20(14)23(2,21)22)9-15(18-10)19-12-5-3-4-11(16)8-12/h3-5,8-9,14H,6-7H2,1-2H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine?
N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine has a molecular weight of 336.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-6-[(2R)-1-methylsulfonylazetidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 95846977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).