2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H16N4OS — CID 136571655

IUPAC2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)OCCNc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-7(2)16-5-4-13-11-14-9(12)8-3-6-17-10(8)15-11/h3,6-7H,4-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyFMRXZUCYCJHPMP-UHFFFAOYSA-N
MW252.34 g/mol
LogP2.11
Rot. Bonds5

About 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 136571655) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID136571655
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCC(C)OCCNc1nc(N)c2ccsc2n1
InChIInChI=1S/C11H16N4OS/c1-7(2)16-5-4-13-11-14-9(12)8-3-6-17-10(8)15-11/h3,6-7H,4-5H2,1-2H3,(H3,12,13,14,15)
InChIKeyFMRXZUCYCJHPMP-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 136571655) is 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CC(C)OCCNc1nc(N)c2ccsc2n1.
What is the InChIKey of 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FMRXZUCYCJHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-7(2)16-5-4-13-11-14-9(12)8-3-6-17-10(8)15-11/h3,6-7H,4-5H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 252.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 136571655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).