5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine

C10H14ClN3O2S — CID 75377306

IUPAC5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-14(10-12-6-8(11)7-13-10)9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyQIVYOJWBGXLAEU-UHFFFAOYSA-N
MW275.76 g/mol
LogP1.14
Rot. Bonds2

About 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine

5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine (PubChem CID 75377306) has the molecular formula C10H14ClN3O2S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
PubChem CID75377306
Molecular FormulaC10H14ClN3O2S
Molecular Weight275.76 g/mol
Exact Mass275.05
IUPAC Name5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H14ClN3O2S/c1-14(10-12-6-8(11)7-13-10)9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3
InChIKeyQIVYOJWBGXLAEU-UHFFFAOYSA-N
XLogP1.14
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine (CID 75377306) is 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine?
The InChIKey is QIVYOJWBGXLAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2S/c1-14(10-12-6-8(11)7-13-10)9-2-4-17(15,16)5-3-9/h6-7,9H,2-5H2,1H3.
What are the key properties of 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine?
5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine has a molecular weight of 275.76 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,1-dioxothian-4-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 75377306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).