4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine

C13H21N3O2S — CID 138019551

IUPAC4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCC2CCC(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-10-7-8-14-13(16-10)15-9-11-3-5-12(6-4-11)19(2,17)18/h7-8,11-12H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyNTFDFWXKOBOQEJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.80
Rot. Bonds4

About 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine

4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine (PubChem CID 138019551) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine
PubChem CID138019551
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine
SMILESCc1ccnc(NCC2CCC(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C13H21N3O2S/c1-10-7-8-14-13(16-10)15-9-11-3-5-12(6-4-11)19(2,17)18/h7-8,11-12H,3-6,9H2,1-2H3,(H,14,15,16)
InChIKeyNTFDFWXKOBOQEJ-UHFFFAOYSA-N
XLogP1.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-[[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]methyl]pyrimidine
CID 99948952
N-[[(3R)-1-butylsulfonylpyrrolidin-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 164633475
N-[[(2R)-1,1-dioxothian-2-yl]methyl]-4,5-dimethylpyrimidin-2-amine
CID 164635216
N-[1-(ethanesulfonyl)propan-2-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 56789847
N-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
CID 59231096
N-[(1,1-dioxothiolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 47157060
N-(cyclobutylmethyl)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanesulfonamide
CID 56785580
N-(2-methylsulfonylethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 61036437
N-(3-methylsulfonylpropyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 61621582
N-(1-methylsulfonylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64122310
N-(1,1-dioxothian-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64457669
N-(1,1-dioxothian-4-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584316

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine (CID 138019551) is 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine is Cc1ccnc(NCC2CCC(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine?
The InChIKey is NTFDFWXKOBOQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-7-8-14-13(16-10)15-9-11-3-5-12(6-4-11)19(2,17)18/h7-8,11-12H,3-6,9H2,1-2H3,(H,14,15,16).
What are the key properties of 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine?
4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine has a molecular weight of 283.40 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 138019551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).