1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine

C10H15N3O2S — CID 115336731

IUPAC1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-11-10(9-4-12-7-13-5-9)8-2-3-16(14,15)6-8/h4-5,7-8,10-11H,2-3,6H2,1H3
InChIKeyBHMXODYHRRWKRO-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.17
Rot. Bonds3

About 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine

1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine (PubChem CID 115336731) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
PubChem CID115336731
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
SMILESCNC(c1cncnc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15N3O2S/c1-11-10(9-4-12-7-13-5-9)8-2-3-16(14,15)6-8/h4-5,7-8,10-11H,2-3,6H2,1H3
InChIKeyBHMXODYHRRWKRO-UHFFFAOYSA-N
XLogP0.17
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,1-dioxothiolan-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 115336884
1-(1,1-dioxothiolan-3-yl)-1-(6-methoxy-3-pyridinyl)-N-methylmethanamine
CID 114938191
1-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylmethanamine
CID 115336729
1-(1,1-dioxothiolan-3-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 113289751
1-(4-cyclopropyloxyphenyl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 114519704
1-(cyclopenten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64904121
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 115336746
1-(cycloocten-1-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 106654139
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 65412087
1-(2,5-dimethylfuran-3-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 64906824
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-1-(1,1-dioxothiolan-3-yl)-N-methylmethanamine
CID 107293620
1-(1,1-dioxothiolan-3-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114659431

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine (CID 115336731) is 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine is CNC(c1cncnc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
The InChIKey is BHMXODYHRRWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-11-10(9-4-12-7-13-5-9)8-2-3-16(14,15)6-8/h4-5,7-8,10-11H,2-3,6H2,1H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine?
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine has a molecular weight of 241.32 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-methyl-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 115336731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).