N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C15H20BrN3S — CID 102637670

IUPACN-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)C3CCCCC3Br)c2c1C
InChIInChI=1S/C15H20BrN3S/c1-9-10(2)20-15-13(9)14(17-8-18-15)19(3)12-7-5-4-6-11(12)16/h8,11-12H,4-7H2,1-3H3
InChIKeyCGZQUELJZUMGGT-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.45
Rot. Bonds2

About N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 102637670) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID102637670
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC NameN-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)C3CCCCC3Br)c2c1C
InChIInChI=1S/C15H20BrN3S/c1-9-10(2)20-15-13(9)14(17-8-18-15)19(3)12-7-5-4-6-11(12)16/h8,11-12H,4-7H2,1-3H3
InChIKeyCGZQUELJZUMGGT-UHFFFAOYSA-N
XLogP4.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclohexyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637634
N,5,6-trimethyl-N-pyrrolidin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63301843
N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860
N-(2-bromocyclohexyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 102637593
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 104555275
N-cyclohexyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 712429
4-(4-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80673981
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
CID 102637591
N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
CID 102637695
4-(3-bromopiperidin-1-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 80672734
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 102637670) is N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)C3CCCCC3Br)c2c1C.
What is the InChIKey of N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CGZQUELJZUMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-9-10(2)20-15-13(9)14(17-8-18-15)19(3)12-7-5-4-6-11(12)16/h8,11-12H,4-7H2,1-3H3.
What are the key properties of N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 4.45, 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,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 102637670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).