N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

C13H18ClN3S — CID 55184430

IUPACN-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(CCCl)C(C)C)ncnc2s1
InChIInChI=1S/C13H18ClN3S/c1-4-10-7-11-12(15-8-16-13(11)18-10)17(6-5-14)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyNHPMYBVANKAGGE-UHFFFAOYSA-N
MW283.83 g/mol
LogP3.71
Rot. Bonds5

About N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine

N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 55184430) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID55184430
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC NameN-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(CCCl)C(C)C)ncnc2s1
InChIInChI=1S/C13H18ClN3S/c1-4-10-7-11-12(15-8-16-13(11)18-10)17(6-5-14)9(2)3/h7-9H,4-6H2,1-3H3
InChIKeyNHPMYBVANKAGGE-UHFFFAOYSA-N
XLogP3.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 55184430) is N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(CCCl)C(C)C)ncnc2s1.
What is the InChIKey of N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NHPMYBVANKAGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-4-10-7-11-12(15-8-16-13(11)18-10)17(6-5-14)9(2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.83 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-6-ethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 55184430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).