4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine

C15H19N3O2S — CID 94006047

IUPAC4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-11(2)17-15(16-10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18)/t12-/m1/s1
InChIKeyKIMLCOCHBKSKRR-GFCCVEGCSA-N
MW305.40 g/mol
LogP2.67
Rot. Bonds4

About 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine

4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 94006047) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
PubChem CID94006047
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-11(2)17-15(16-10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18)/t12-/m1/s1
InChIKeyKIMLCOCHBKSKRR-GFCCVEGCSA-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

N-[4-methyl-6-[1-(4-methylsulfonylphenyl)ethylamino]-1,3,5-triazin-2-yl]acetamide
CID 22965457
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
N-[1-(4-ethylphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60732152
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 134704423
2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43196698
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
3-fluoro-4-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43093299
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97269532
1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 72845288
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine (CID 94006047) is 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is KIMLCOCHBKSKRR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-9-11(2)17-15(16-10)18-12(3)13-5-7-14(8-6-13)21(4,19)20/h5-9,12H,1-4H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-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 4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 94006047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).