4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine

C10H16N4O2S — CID 80786199

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16N4O2S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-17(15,16)5-8/h8H,3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyPULYCSNDWRKHPS-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.27
Rot. Bonds2

About 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80786199) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID80786199
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C10H16N4O2S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-17(15,16)5-8/h8H,3-5H2,1-2H3,(H3,11,12,13,14)
InChIKeyPULYCSNDWRKHPS-UHFFFAOYSA-N
XLogP0.27
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(1,1-dioxothiolan-3-yl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80822733
4-N-(1,1-dioxothiolan-3-yl)-2-methyl-1H-imidazole-4,5-diamine
CID 82235461
2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771822
4-N-(1,1-dioxothian-4-yl)-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80994169
4-N-(1,1-dioxothiolan-3-yl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981415
N-(1,1-dioxothiolan-3-yl)-2,7-dimethyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50948693
4-[(1,1-dioxothiolan-3-yl)amino]-2,7-dimethyl-7,8-dihydro-5H-pteridin-6-one
CID 91961803
2,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80826930
5-bromo-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 80784885
2,5-dimethyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829505
5-amino-6-[(1,1-dioxothiolan-3-yl)amino]pyridine-2-carboxylic acid
CID 114405135
N-(1,1-dioxothian-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65272954

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine (CID 80786199) is 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is PULYCSNDWRKHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6-9(11)12-7(2)13-10(6)14-8-3-4-17(15,16)5-8/h8H,3-5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 256.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80786199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).