4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

C16H22N4O2S — CID 126466712

IUPAC4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=C(C)CN(CC)c1ncnc2sc(C(=O)NCCO)c(C)c12
InChIInChI=1S/C16H22N4O2S/c1-5-20(8-10(2)3)14-12-11(4)13(15(22)17-6-7-21)23-16(12)19-9-18-14/h9,21H,2,5-8H2,1,3-4H3,(H,17,22)
InChIKeyDZDSHYZZLRKXLT-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.12
Rot. Bonds7

About 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide

4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 126466712) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID126466712
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESC=C(C)CN(CC)c1ncnc2sc(C(=O)NCCO)c(C)c12
InChIInChI=1S/C16H22N4O2S/c1-5-20(8-10(2)3)14-12-11(4)13(15(22)17-6-7-21)23-16(12)19-9-18-14/h9,21H,2,5-8H2,1,3-4H3,(H,17,22)
InChIKeyDZDSHYZZLRKXLT-UHFFFAOYSA-N
XLogP2.12
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 126466712) is 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is C=C(C)CN(CC)c1ncnc2sc(C(=O)NCCO)c(C)c12.
What is the InChIKey of 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is DZDSHYZZLRKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-5-20(8-10(2)3)14-12-11(4)13(15(22)17-6-7-21)23-16(12)19-9-18-14/h9,21H,2,5-8H2,1,3-4H3,(H,17,22).
What are the key properties of 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide?
4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylprop-2-enyl)amino]-N-(2-hydroxyethyl)-5-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 126466712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).