6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine

C12H13BrN4S — CID 116795652

IUPAC6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C12H13BrN4S/c13-10-5-11(14)17-12(16-10)15-6-8-4-7-2-1-3-9(7)18-8/h4-5H,1-3,6H2,(H3,14,15,16,17)
InChIKeyUFQPCIKJQRALPQ-UHFFFAOYSA-N
MW325.24 g/mol
LogP2.98
Rot. Bonds3

About 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine

6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 116795652) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID116795652
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(NCc2cc3c(s2)CCC3)n1
InChIInChI=1S/C12H13BrN4S/c13-10-5-11(14)17-12(16-10)15-6-8-4-7-2-1-3-9(7)18-8/h4-5H,1-3,6H2,(H3,14,15,16,17)
InChIKeyUFQPCIKJQRALPQ-UHFFFAOYSA-N
XLogP2.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194029
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-6-methylpyridin-2-amine
CID 61208380
3-amino-5-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-1,2-thiazole-4-carbonitrile
CID 103378439
2,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidin-4-amine
CID 106194025
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 55112619
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 106194049
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
CID 106194051
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
5-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359401
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194064
2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106194077

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine (CID 116795652) is 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine is Nc1cc(Br)nc(NCc2cc3c(s2)CCC3)n1.
What is the InChIKey of 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is UFQPCIKJQRALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c13-10-5-11(14)17-12(16-10)15-6-8-4-7-2-1-3-9(7)18-8/h4-5H,1-3,6H2,(H3,14,15,16,17).
What are the key properties of 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine?
6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 325.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116795652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).