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

C14H18BrN3S — CID 102637634

IUPACN-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)C3CCCCC3Br)ncnc2s1
InChIInChI=1S/C14H18BrN3S/c1-9-7-10-13(16-8-17-14(10)19-9)18(2)12-6-4-3-5-11(12)15/h7-8,11-12H,3-6H2,1-2H3
InChIKeyGHLQWWHVCADHST-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.14
Rot. Bonds2

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

N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 102637634) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID102637634
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC NameN-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)C3CCCCC3Br)ncnc2s1
InChIInChI=1S/C14H18BrN3S/c1-9-7-10-13(16-8-17-14(10)19-9)18(2)12-6-4-3-5-11(12)15/h7-8,11-12H,3-6H2,1-2H3
InChIKeyGHLQWWHVCADHST-UHFFFAOYSA-N
XLogP4.14
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-bromocyclohexyl)-N,6-dimethylthieno[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-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637670
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
4-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]oxolane-3-carboxylic acid
CID 66235368
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 102637593
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
CID 102637591
N,N-diethyl-6-methylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 2972044
2-[[(2S,3R)-2-methyloxolan-3-yl]-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 124843777
N-cyclohexyl-N-methyl-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553299
N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
CID 102637695
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 63617064
N-(2-bromocyclohexyl)-N,4-dimethylphthalazin-1-amine
CID 102637599
N-(2-bromocyclohexyl)-5-iodo-N-methylpyrimidin-2-amine
CID 102637613

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 102637634) is N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)C3CCCCC3Br)ncnc2s1.
What is the InChIKey of N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GHLQWWHVCADHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-9-7-10-13(16-8-17-14(10)19-9)18(2)12-6-4-3-5-11(12)15/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 340.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102637634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).