N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H18ClN3S — CID 106167969

IUPACN-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(CCCl)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C13H18ClN3S/c1-4-13(3,5-6-14)17-11-10-7-9(2)18-12(10)16-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyKOEXBFCCBSXMHC-UHFFFAOYSA-N
MW283.83 g/mol
LogP4.21
Rot. Bonds5

About N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine

N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 106167969) has the molecular formula C13H18ClN3S and a molecular weight of 283.83 g/mol. Its IUPAC name is N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID106167969
Molecular FormulaC13H18ClN3S
Molecular Weight283.83 g/mol
Exact Mass283.09
IUPAC NameN-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC(C)(CCCl)Nc1ncnc2sc(C)cc12
InChIInChI=1S/C13H18ClN3S/c1-4-13(3,5-6-14)17-11-10-7-9(2)18-12(10)16-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16,17)
InChIKeyKOEXBFCCBSXMHC-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.83
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[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

Related Compounds

N-[2-(chloromethyl)-2-ethylbutyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 106252993
5-bromo-N-(1-chloro-3-methylpentan-3-yl)pyrimidin-4-amine
CID 106167952
N-[4-(2-chloroethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65027620
3,3,3-trifluoro-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 79798801
N-(2-aminoethyl)-2-methyl-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39162372
N-(1-chloro-4-methylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 65029549
N-[1-chloro-2-(chloromethyl)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 114010801
N-(1-chloro-3-methylpentan-3-yl)-7H-purin-6-amine
CID 106167718
N-[2-(chloromethyl)cyclohexyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114179340
N-(1-chloro-3-methylpentan-3-yl)-5-methylpyrimidin-2-amine
CID 106167874
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
6-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 133434436

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 106167969) is N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is CCC(C)(CCCl)Nc1ncnc2sc(C)cc12.
What is the InChIKey of N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KOEXBFCCBSXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3S/c1-4-13(3,5-6-14)17-11-10-7-9(2)18-12(10)16-8-15-11/h7-8H,4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 283.83 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-3-methylpentan-3-yl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106167969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).