N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

C11H10ClN3S — CID 106196459

IUPACN-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESC#CC(C)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H10ClN3S/c1-4-6(2)13-9-8-5-7(3)16-10(8)15-11(12)14-9/h1,5-6H,2-3H3,(H,13,14,15)
InChIKeyGJNXBIHMLYQBJU-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.09
Rot. Bonds2

About N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine

N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106196459) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106196459
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC NameN-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESC#CC(C)Nc1nc(Cl)nc2sc(C)cc12
InChIInChI=1S/C11H10ClN3S/c1-4-6(2)13-9-8-5-7(3)16-10(8)15-11(12)14-9/h1,5-6H,2-3H3,(H,13,14,15)
InChIKeyGJNXBIHMLYQBJU-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
2-chloro-N-[1-(2-chlorophenyl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321032
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butan-1-ol
CID 82066307
2-chloro-6-methyl-N-(1-pyridin-4-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320629
2-chloro-6-methyl-N-(4-methylsulfanylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322498
2-chloro-6-methyl-N-(2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322476
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propylpropanamide
CID 103321007
2-chloro-N-(3-ethylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321900
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320341
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
2-chloro-6-ethyl-N-pent-4-yn-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 114156800

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 106196459) is N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is C#CC(C)Nc1nc(Cl)nc2sc(C)cc12.
What is the InChIKey of N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GJNXBIHMLYQBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-4-6(2)13-9-8-5-7(3)16-10(8)15-11(12)14-9/h1,5-6H,2-3H3,(H,13,14,15).
What are the key properties of N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 251.74 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106196459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).