N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine

C10H15N3O3S — CID 66327551

IUPACN-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C10H15N3O3S/c1-2-16-10-5-9(11-7-12-10)13-8-3-4-17(14,15)6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyZIGGNNNEDYBMBV-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.47
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine (PubChem CID 66327551) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
PubChem CID66327551
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NC2CCS(=O)(=O)C2)ncn1
InChIInChI=1S/C10H15N3O3S/c1-2-16-10-5-9(11-7-12-10)13-8-3-4-17(14,15)6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13)
InChIKeyZIGGNNNEDYBMBV-UHFFFAOYSA-N
XLogP0.47
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-6-hydrazinylpyrimidin-4-amine
CID 80932975
6-N-[2-(dimethylamino)ethyl]-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112857401
4-N-(1,1-dioxothiolan-3-yl)-6-N-(3-methoxypropyl)pyrimidine-4,6-diamine
CID 112856867
N-(3,5-dimethylcyclohexyl)-6-ethoxypyrimidin-4-amine
CID 66330405
4-N-(1,1-dioxothian-4-yl)-6-N-ethylpyrimidine-4,6-diamine
CID 80789316
6-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112861955
4-N-(1,1-dioxothiolan-3-yl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860206
6-ethoxy-N-(oxolan-3-yl)pyrimidin-4-amine
CID 80713528
6-ethoxy-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 66319236
6-N-benzyl-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112858744
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
CID 66319465
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine (CID 66327551) is N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine is CCOc1cc(NC2CCS(=O)(=O)C2)ncn1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine?
The InChIKey is ZIGGNNNEDYBMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-16-10-5-9(11-7-12-10)13-8-3-4-17(14,15)6-8/h5,7-8H,2-4,6H2,1H3,(H,11,12,13).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine has a molecular weight of 257.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66327551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).