4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H18N4O2S2 — CID 103324303

IUPAC4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCS(=O)(=O)C2)c2cc(C)sc2n1
InChIInChI=1S/C13H18N4O2S2/c1-3-14-13-16-11(10-6-8(2)20-12(10)17-13)15-9-4-5-21(18,19)7-9/h6,9H,3-5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyMOTDRYOGQXMLBZ-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.03
Rot. Bonds4

About 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103324303) has the molecular formula C13H18N4O2S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103324303
Molecular FormulaC13H18N4O2S2
Molecular Weight326.45 g/mol
Exact Mass326.09
IUPAC Name4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NC2CCS(=O)(=O)C2)c2cc(C)sc2n1
InChIInChI=1S/C13H18N4O2S2/c1-3-14-13-16-11(10-6-8(2)20-12(10)17-13)15-9-4-5-21(18,19)7-9/h6,9H,3-5,7H2,1-2H3,(H2,14,15,16,17)
InChIKeyMOTDRYOGQXMLBZ-UHFFFAOYSA-N
XLogP2.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

5-chloro-4-N-(1,1-dioxothiolan-3-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80784884
2-chloro-N-(1,1-dioxothian-4-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320730
2-chloro-N-(1,1-dioxothiolan-3-yl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320494
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(3-cyclopropylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330558
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
2-N-ethyl-6-methyl-4-N-[(3-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 107415805
5-[[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 103328236
2-N-ethyl-4-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328434
2-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]ethanol
CID 103324005
4-[[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]butanamide
CID 103325302
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563891

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103324303) is 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NC2CCS(=O)(=O)C2)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is MOTDRYOGQXMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S2/c1-3-14-13-16-11(10-6-8(2)20-12(10)17-13)15-9-4-5-21(18,19)7-9/h6,9H,3-5,7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 326.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,1-dioxothiolan-3-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103324303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).