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

C11H17N3O3S — CID 138022728

IUPACN-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O3S/c1-8-7-10(14-11(12-8)17-2)13-9-3-5-18(15,16)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyAAMWQRKJTVSTSB-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.78
Rot. Bonds3

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

N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine (PubChem CID 138022728) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
PubChem CID138022728
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC NameN-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
SMILESCOc1nc(C)cc(NC2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H17N3O3S/c1-8-7-10(14-11(12-8)17-2)13-9-3-5-18(15,16)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyAAMWQRKJTVSTSB-UHFFFAOYSA-N
XLogP0.78
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine (CID 138022728) is N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine is COc1nc(C)cc(NC2CCS(=O)(=O)CC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
The InChIKey is AAMWQRKJTVSTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-8-7-10(14-11(12-8)17-2)13-9-3-5-18(15,16)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine?
N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine has a molecular weight of 271.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-methoxy-6-methylpyrimidin-4-amine is sourced from PubChem (CID 138022728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).