2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C12H20N4O2S — CID 50955867

IUPAC2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCS(=O)(=O)CC2)nc1N(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-8-13-12(15-11(9)16(2)3)14-10-4-6-19(17,18)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyUTBLNOLAADFAGD-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.84
Rot. Bonds3

About 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 50955867) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID50955867
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(NC2CCS(=O)(=O)CC2)nc1N(C)C
InChIInChI=1S/C12H20N4O2S/c1-9-8-13-12(15-11(9)16(2)3)14-10-4-6-19(17,18)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyUTBLNOLAADFAGD-UHFFFAOYSA-N
XLogP0.84
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 50955867) is 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(NC2CCS(=O)(=O)CC2)nc1N(C)C.
What is the InChIKey of 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is UTBLNOLAADFAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-8-13-12(15-11(9)16(2)3)14-10-4-6-19(17,18)7-5-10/h8,10H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 284.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1-dioxothian-4-yl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 50955867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).