ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate

C14H18N4O3S — CID 43044207

IUPACethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1sc2nc(CC)nc(C)c2c1C
InChIInChI=1S/C14H18N4O3S/c1-5-9-15-8(4)10-7(3)11(22-13(10)16-9)12(19)17-18-14(20)21-6-2/h5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFUKAOFVOKOAGNP-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.26
Rot. Bonds3

About ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate

ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate (PubChem CID 43044207) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
PubChem CID43044207
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Nameethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate
SMILESCCOC(=O)NNC(=O)c1sc2nc(CC)nc(C)c2c1C
InChIInChI=1S/C14H18N4O3S/c1-5-9-15-8(4)10-7(3)11(22-13(10)16-9)12(19)17-18-14(20)21-6-2/h5-6H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyFUKAOFVOKOAGNP-UHFFFAOYSA-N
XLogP2.26
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate?
The IUPAC name of ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate (CID 43044207) is ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate.
What is the SMILES notation for ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate?
The canonical SMILES for ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate is CCOC(=O)NNC(=O)c1sc2nc(CC)nc(C)c2c1C.
What is the InChIKey of ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate?
The InChIKey is FUKAOFVOKOAGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-5-9-15-8(4)10-7(3)11(22-13(10)16-9)12(19)17-18-14(20)21-6-2/h5-6H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate?
ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate has a molecular weight of 322.39 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)amino]carbamate is sourced from PubChem (CID 43044207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).