2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C12H16ClN3OS — CID 103322184

IUPAC2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(C)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H16ClN3OS/c1-4-17-6-5-16(3)10-9-7-8(2)18-11(9)15-12(13)14-10/h7H,4-6H2,1-3H3
InChIKeyHZNBDSWZYQNSND-UHFFFAOYSA-N
MW285.80 g/mol
LogP3.13
Rot. Bonds5

About 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103322184) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103322184
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCCOCCN(C)c1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C12H16ClN3OS/c1-4-17-6-5-16(3)10-9-7-8(2)18-11(9)15-12(13)14-10/h7H,4-6H2,1-3H3
InChIKeyHZNBDSWZYQNSND-UHFFFAOYSA-N
XLogP3.13
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-N,N-dimethylacetamide
CID 103320605
2-chloro-N,6-dimethyl-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320677
2-N-(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103322754
2-chloro-N-(cyclobutylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103321547
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 103321134
2-chloro-N-(furan-3-ylmethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103320853
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334678
2-chloro-N-ethyl-N-(2-ethylbutyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320887
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2-methoxyethyl)amino]propanenitrile
CID 103321662
2-chloro-N,6-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103322056
5-chloro-4-N-(2-ethoxyethyl)-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 81067674

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 103322184) is 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CCOCCN(C)c1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HZNBDSWZYQNSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3OS/c1-4-17-6-5-16(3)10-9-7-8(2)18-11(9)15-12(13)14-10/h7H,4-6H2,1-3H3.
What are the key properties of 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 285.80 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103322184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).