6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

C11H18N4O2S — CID 50953145

IUPAC6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCS(=O)(=O)CC2)ncn1
InChIInChI=1S/C11H18N4O2S/c1-15(2)11-7-10(12-8-13-11)14-9-3-5-18(16,17)6-4-9/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCYUWOXBLLAGLKJ-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.53
Rot. Bonds3

About 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine

6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 50953145) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID50953145
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCS(=O)(=O)CC2)ncn1
InChIInChI=1S/C11H18N4O2S/c1-15(2)11-7-10(12-8-13-11)14-9-3-5-18(16,17)6-4-9/h7-9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyCYUWOXBLLAGLKJ-UHFFFAOYSA-N
XLogP0.53
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 50953145) is 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCS(=O)(=O)CC2)ncn1.
What is the InChIKey of 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is CYUWOXBLLAGLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-15(2)11-7-10(12-8-13-11)14-9-3-5-18(16,17)6-4-9/h7-9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 270.36 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,1-dioxothian-4-yl)-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 50953145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).