6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine

C14H17N3O2S — CID 133398088

IUPAC6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(CCS(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C14H17N3O2S/c1-11-9-14(16-10-15-11)17-13-5-3-12(4-6-13)7-8-20(2,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHZHAEFLLBSZNHB-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.12
Rot. Bonds5

About 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine

6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine (PubChem CID 133398088) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
PubChem CID133398088
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(CCS(C)(=O)=O)cc2)ncn1
InChIInChI=1S/C14H17N3O2S/c1-11-9-14(16-10-15-11)17-13-5-3-12(4-6-13)7-8-20(2,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyHZHAEFLLBSZNHB-UHFFFAOYSA-N
XLogP2.12
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
6-chloro-2-cyclopropyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine
CID 133421758
5-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 108733255
6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-4-amine
CID 108773215
3-chloro-6-[4-(2-methylsulfonylethyl)anilino]pyridine-2-carbonitrile
CID 133398085
6-hydrazinyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894746
1-N-(6-methylpyrimidin-4-yl)-4-N-(6-phenylpyrimidin-4-yl)benzene-1,4-diamine
CID 108773977
3-[4-(2-methylsulfonylethyl)anilino]pyrazine-2-carbonitrile
CID 133398030
3-chloro-2,2-dimethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108756580
2-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]propanoic acid
CID 13054264
N-[4-(2-methylsulfonylethyl)phenyl]-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133398054
ethane;1-methyl-4-(2-methylsulfonylethyl)benzene
CID 143460144

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine (CID 133398088) is 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine is Cc1cc(Nc2ccc(CCS(C)(=O)=O)cc2)ncn1.
What is the InChIKey of 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
The InChIKey is HZHAEFLLBSZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-9-14(16-10-15-11)17-13-5-3-12(4-6-13)7-8-20(2,18)19/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine?
6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine has a molecular weight of 291.38 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 133398088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).