N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine

C11H17N3O2S — CID 43615421

IUPACN-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S/c1-8-7-9(2)13-11(12-8)14-10-3-5-17(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDASRCYHASKOOGU-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.08
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine

N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine (PubChem CID 43615421) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
PubChem CID43615421
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O2S/c1-8-7-9(2)13-11(12-8)14-10-3-5-17(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyDASRCYHASKOOGU-UHFFFAOYSA-N
XLogP1.08
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,1-dioxothian-4-yl)-4,6-dimethoxypyrimidin-2-amine
CID 115354965
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907115
4-N-(1,1-dioxothian-4-yl)-6-methylpyrimidine-2,4-diamine
CID 80789043
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
2-(cycloheptylamino)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidine-4-carboxamide
CID 109331364
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112921909
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80932792
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112921824
methyl 4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 112689982
6-chloro-N-(1,1-dioxothian-4-yl)-2-methylpyrimidin-4-amine
CID 55079915
N-(1,1-dioxothian-4-yl)-4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 154783261
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine (CID 43615421) is N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine?
The InChIKey is DASRCYHASKOOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-7-9(2)13-11(12-8)14-10-3-5-17(15,16)6-4-10/h7,10H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine?
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 43615421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).