4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

C12H21N3O2S — CID 50956927

IUPAC4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCS(=O)(=O)CC(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)8-18(16,17)6-5-13-12-14-10(3)7-11(4)15-12/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyYJARTFUUBNBHMN-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.58
Rot. Bonds6

About 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine

4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (PubChem CID 50956927) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
PubChem CID50956927
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(NCCS(=O)(=O)CC(C)C)n1
InChIInChI=1S/C12H21N3O2S/c1-9(2)8-18(16,17)6-5-13-12-14-10(3)7-11(4)15-12/h7,9H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyYJARTFUUBNBHMN-UHFFFAOYSA-N
XLogP1.58
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Ethanesulfonyl-ethylsulfanyl)-4,6-dimethyl-pyrimidine
CID 656348
Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine
CID 25131544
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}butane-1-sulfonamide
CID 71797010
Pyrimidine, 2-isobutylamino-4,6-dimethyl-
CID 21059254
Pyrimidine, 2-isopentylamino-4,6-dimethyl-
CID 23423537
2-[(4,6-Dimethylpyrimidin-2-yl)amino]ethanethiol
CID 3136555
N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}cyclopropanesulfonamide
CID 71797009
4,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]pyrimidin-2-amine
CID 75430003
4-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 97200812
N-(1-oxothiolan-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 132354298

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine (CID 50956927) is 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is Cc1cc(C)nc(NCCS(=O)(=O)CC(C)C)n1.
What is the InChIKey of 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
The InChIKey is YJARTFUUBNBHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9(2)8-18(16,17)6-5-13-12-14-10(3)7-11(4)15-12/h7,9H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine?
4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[2-(2-methylpropylsulfonyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 50956927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).