5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine

C12H19IN4O2S — CID 66509629

IUPAC5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C12H19IN4O2S/c1-16(2)12-14-8-9(13)11(15-12)10-6-4-5-7-17(10)20(3,18)19/h8,10H,4-7H2,1-3H3
InChIKeyHRBXQKWEEXKJRP-UHFFFAOYSA-N
MW410.28 g/mol
LogP1.63
Rot. Bonds3

About 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine

5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine (PubChem CID 66509629) has the molecular formula C12H19IN4O2S and a molecular weight of 410.28 g/mol. Its IUPAC name is 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine
PubChem CID66509629
Molecular FormulaC12H19IN4O2S
Molecular Weight410.28 g/mol
Exact Mass410.03
IUPAC Name5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine
SMILESCN(C)c1ncc(I)c(C2CCCCN2S(C)(=O)=O)n1
InChIInChI=1S/C12H19IN4O2S/c1-16(2)12-14-8-9(13)11(15-12)10-6-4-5-7-17(10)20(3,18)19/h8,10H,4-7H2,1-3H3
InChIKeyHRBXQKWEEXKJRP-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N,N-dimethyl-4-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95804184
1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95804170
5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine
CID 66509614
(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616167
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]-5-(4-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 110266270
(2S)-2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616194
4-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92616128
N-methyl-3-(1-methylsulfonylpyrrolidin-2-yl)pyrazin-2-amine
CID 110269291
N,N-dimethyl-1-[4-[(2R)-1-methylsulfonylpiperidin-2-yl]phenyl]methanamine
CID 95729302
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
4-chloro-6-methyl-2-[(2R)-1-methylsulfonylpiperidin-2-yl]pyrimidine
CID 95804534
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110266304

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine?
The IUPAC name of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine (CID 66509629) is 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine?
The canonical SMILES for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine is CN(C)c1ncc(I)c(C2CCCCN2S(C)(=O)=O)n1.
What is the InChIKey of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine?
The InChIKey is HRBXQKWEEXKJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN4O2S/c1-16(2)12-14-8-9(13)11(15-12)10-6-4-5-7-17(10)20(3,18)19/h8,10H,4-7H2,1-3H3.
What are the key properties of 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine?
5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine has a molecular weight of 410.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 66509629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).