5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine

C15H19N3O2S — CID 72876342

IUPAC5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NC(C)c2ccc(S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)16-9-17-15(10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18)
InChIKeySNGXNWLZMSPJRX-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds4

About 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine

5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine (PubChem CID 72876342) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
PubChem CID72876342
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
SMILESCc1ncnc(NC(C)c2ccc(S(C)(=O)=O)cc2)c1C
InChIInChI=1S/C15H19N3O2S/c1-10-11(2)16-9-17-15(10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18)
InChIKeySNGXNWLZMSPJRX-UHFFFAOYSA-N
XLogP2.67
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitropyridin-2-amine
CID 26437363
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
6-(4-methylsulfonylphenyl)-N-[(1R)-1-phenylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 127026467
5-(4-methoxyphenyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 26437418
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 15916595
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
CID 83619941
N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 22965457

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine (CID 72876342) is 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine is Cc1ncnc(NC(C)c2ccc(S(C)(=O)=O)cc2)c1C.
What is the InChIKey of 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is SNGXNWLZMSPJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-11(2)16-9-17-15(10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18).
What are the key properties of 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine?
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 72876342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).